Learn more about the expertise and technical backgrounds of the principal investigators and other people in the Center for Next Generation of Materials by Design.

TONIO BUONASSISI

Role in Center:
Current Affiliation: Massachusetts Institute of Technology

Education and Training

  • Ph.D., Applied Science and Technology, University of California at Berkeley, 2006
  • B.S., Applied Physics, University of Notre Dame, 2001, Sigma Pi Sigma

Professional Experience

  • Associate Professor, Massachusetts Institute of Technology, Cambridge, Massachusetts, 2007-Present
    Successful transition of defect-engineering technologies to established companies and start-ups; innovated synchrotron-based characterization techniques for solar cells, including nanoscale in-situ measurements and sub-100 nm X-ray fluorescence
  • Crystal Growth Scientist, Evergreen Solar Inc., Marlborough, Massachusetts, 2006–2007
    Spearheaded projects to improve solar cell efficiency and yield
  • Visiting Scientist, Max-Planck Institute for Microstructure Physics, Halle, Germany, 2004
  • Visiting Scientist, Fraunhofer Institute for Solar Energy Systems, Freiburg, Germany, 2002, 2003
    Characterized industrial solar cell materials using camera-based imaging techniques
  • Graduate Student Researcher,UC Berkeley, Berkeley, California, 2001–2005
    Developed technologies and patent that led to the formation of Calisolar (now Silicor Materials); developed widely accepted scientific model concerning impurity management in PV-grade Si, with 92 citations to 2005 Nature Materials paper

Publications

  • J.P. Mailoa, A.J. Akey, C.B. Simmons, D. Hutchinson, J. Matthews, J.T. Sullivan, D. Recht, M.T. Winkler, J.S. Williams, J.M. Warrender, P.D. Persans, M.J. Aziz, T. Buonassisi, "Room-temperature sub-band gap optoelectronic response of hyperdoped silicon," Nature Communications 5, 3011 (2014).
  • V. Stevanovic, K. Hartman, R. Jaramillo, S. Ramanathan, T. Buonassisi, P. Graf, "Variations of ionization potential and electron affinity as a function of surface orientation: The case of orthorhombic SnS," Applied Physics Letters 104, 211603 (2014)
  • D.P. Fenning, J. Hofstetter, A.E. Morishige, D.M. Powell, A.S. Zuschlag, G. Hahn, T. Buonassisi, "Darwin at high temperature: Advancing solar cell material design through defect kinetics simulation and evolutionary optimization," Advanced Energy Materials DOI: 10.1002/aenm.201400459 (2014).
  • S.C. Siah, S.W. Lee, Y.S. Lee, J. Heo, T. Shibata, C.U. Segre, R.G. Gordon, T. Buonassisi, "X-ray absorption spectroscopy elucidates the impact of structural disorder on electron mobility in amorphous zinc-tin-oxide thin films," Applied Physics Letters 104, 242113 (2014).
  • Y.S. Lee, D. Chua, R.E. Brandt, S.C. Siah, J.V. Li, J.P. Mailoa, S.W. Lee, R.G. Gordon, T. Buonassisi, "Atomic layer deposited gallium oxide buffer layer enables 1.2 V open-circuit voltage in cuprous oxide solar cells," Advanced Materials 26, 4704–4710 (2014)
  • C.B. Simmons, A.J. Akey, J.P. Mailoa, D. Recht, M.J. Aziz, T. Buonassisi, "Enhancing the infrared photoresponse of silicon by controlling the Fermi level location within an impurity band," Advanced Functional Materials 24, 2852–2858 (2014).
  • Y.S. Lee, J. Heo, M.T. Winkler, S.C. Siah, S.B. Kim, R.G. Gordon, T. Buonassisi, "Nitrogen-doped cuprous oxide as a p-type hole-transporting layer in thin-film solar cells," Journal of Materials Chemistry A 1, 15416–15422 (2013).
  • Y.S. Lee, J. Heo, S.C. Siah, J.P. Mailoa, R.E. Brandt, S.B. Kim, R.G. Gordon, T. Buonassisi, "Ultrathin amorphous zinc-tin-oxide buffer layer for enhancing heterojunction interface quality in metal-oxide solar cells," Energy & Environmental Science 6, 2112–2118 (2013).
  • P. Sinsermsuksakul, K. Hartman, S.B. Kim, J. Heo, L. Sun, H.H. Park, R. Chakraborty, T. Buonassisi, R.G. Gordon, "Enhancing the efficiency of SnS solar cells via band-offset engineering with a zinc oxysulfide buffer layer," Applied Physics Letters 102, 053901 (2013).
  • J.J.H. Pijpers, M.T. Winkler, Y. Surendranatha, T. Buonassisi, D.G. Nocera, "Light-induced water oxidation at silicon electrodes functionalized with a cobalt oxygen-evolving catalyst," Proceedings of the National Academy of Sciences 108, 10056 (2011).

Synergistic Activities

  • Selected Honors and Awards: 2012 NSF CAREER Award, 2010 MIT-Deshpande Innovation Grant, 2005 European Materials Research Society (E-MRS) Young Scientist Presentation Award, 2004 German Academic Exchange Service (DAAD) Graduate Research Fellowship
  • Spin-Offs: Co-founded the Fraunhofer Center for Sustainable Energy Systems (CSE), currently over 50 employees
  • National Laboratories: Scientific spokesperson for In Situ Nanoprobe Beamline under development at Argonne National Laboratory
  • Academic Community: Developed and teaches a graduate and advanced undergraduate course on solar energy conversion (2.626, 2.627); Chair of the 2011 International Workshop on Crystalline Silicon Solar Cells; Member of photovoltaic conference committees, including NREL Workshop on Crystalline Silicon Solar Cells (2007–present), Gettering and Defect Engineering in Semiconductor Technology (2009–present), and International Conference on Crystalline Silicon Solar Cells (2009–present)
  • Industrial Community: Serves as scientific advisor for start-up photovoltaic companies; Developed shared-use lab space in Cambridge, MA, for photovoltaic applications (Fraunhofer CSE)
 

GERBRAND CEDER

Role in Center: EFRC Chief Scientist (Theory)
Current Affiliation: University of California, Berkeley

Education and Training

  • Ph.D., Materials Science and Engineering, University of California, Berkeley, 1991
  • Engineer, Metallurgy/Applied Materials Science, University of Leuven, Belgium, 1988

Research and Professional Experience

  • Chancellor's Professor, University of California Berkeley, July 2015–Present
  • Faculty Senior Scientist, Lawrence Berkeley National Laboratory, July 2015–Present
  • Visiting Professor, Massachusetts Institute of Technology, July 2015–Present
  • Professor, Massachusetts Institute of Technology, 2000–2015
    Design and direct research on novel materials design; founded The Materials (Genome) Project, which is the largest open-source project to make computed materials property data available to the community.
  • Associate Professor, Massachusetts Institute of Technology, 1995–2000
  • Assistant Professor, Massachusetts Institute of Technology, 1991–1995

Ceder Full CVPDF

 

DAVID S. GINLEY

Role in Center: EFRC Chief Scientist (Experimental)
Current Affiliation: National Renewable Energy Laboratory

Education and Training

  • Ph.D., Inorganic Chemistry, Massachusetts Institute of Technology, 1976
  • B.S., Mineral Engineering, Chemistry Colorado School of Mines, 1972

Research and Professional Experience

  • Chief Scientist Materials and Chemical Science and Technology, National Renewable Energy Laboratory, Golden, Colorado, 2013-Present
  • Research Fellow/Group Manager, National Renewable Energy Laboratory, Golden, Colorado.
    Manager of Process Development and Advanced Concepts Group, 2008-Present
  • Principal Scientist/Group Manager, National Renewable Energy Laboratory, Golden, Colorado.
    Process Development and Advanced Concepts, National Center for Photovoltaics, 2003-Present
  • Team Leader for the advanced projects team for photovoltaic materials and devices. PI: HTS conductor development program. Led development for advanced batteries, 1996–1999
  • Photovoltaic Devices Branch Manager, National Renewable Energy Laboratory, Golden, Colorado.
    Managed solid state devices group device processing and characterization, 1992–1997

Publications and Patents

  • Ndione, P.F.; Shi, Y.; Stevanovic, V.; Lany, S.; Zakutayev, A.; Parilla, P.A.; Perkins, J.D.; Berry, J.J.; Ginley, D.S.; Toney, M.F. "Control of the Electrical Properties in Spinel Oxides by Manipulating the Cation Disorder." Advanced Functional Materials, Ahead of Print. DOI:10.1002/adfm.201302535.
  • Yang, M.; Zakutayev, A.; Vidal, J.; Zhang, X.; Ginley, D.S.; DiSalvo, F.J. "Strong optical absorption in CuTaN2 nitride delafossite." Energy & Environmental Science (2013), 6(10), 2994-2999. DOI:10.1039/c3ee40621k.
  • Kumar, M.; Sigdel, A.K.; Gennett, T.; Berry, J.J.; Perkins, J.D.; Ginley, D.S.; Packard, C.E., "Optimizing amorphous indium zinc oxide film growth for low residual stress and high electrical conductivity." Applied Surface Science (2013), 283, 65-73. DOI:10.1016/j.apsusc.2013.06.019.
  • Hersh, P.; Van Hest, M.; Ginley, D.; Perkins, J.; Bollinger, V. "Using amorphous zinc-tin oxide alloys in the emitter structure of CIGS photovoltaic devices." PCT Int. Appl. (2013), WO 2013103730 A2 20130711.
  • Zakutayev, A.; Luciano, F. J., IV; Bollinger, V.P.; Sigdel, A.K.; Ndione, P.F.; Perkins, J.D.; Berry, J.J.; Parilla, P.A.; Ginley, D.S. "Development and application of an instrument for spatially resolved Seebeck coefficient measurements." Review of Scientific Instruments (2013), 84(5), 053905/1-053905/9. DOI:10.1063/1.4804634.
  • Ratcliff, E.L.; Garcia, A.; Paniagua, S.A.; Cowan, S.R.; Giordano, A.J.; Ginley, D.S.; Marder, S.R.; Berry, J.J.; Olson, D.C. "Investigating the influence of interfacial contact properties on open circuit voltages in organic photovoltaic performance: work function versus selectivity." Advanced Energy Materials (2013), 3(5), 647-656. DOI: 10.1002/aenm.201200669.
  • Zakutayev, A.; Zhang, X.; Nagaraja, A.; Yu, L.; Lany, S.; Mason, T.O.; Ginley, D.S.; Zunger, A. "Theoretical Prediction and Experimental Realization of New Stable Inorganic Materials Using the Inverse Design Approach." Journal of the American Chemical Society (2013), 135(27), 10048-10054. DOI:10.1021/ja311599g.
  • Mahan, A.H.; Dabney, M.S.; Ginley, D.S. "Nucleation rate reduction through stress relief of thermally annealed hydrogenated amorphous silicon films." Journal of Applied Physics (2013), 113(17), 173509/1-173509/5. DOI:10.1063/1.4803686.
  • Ndione, P.F.; Garcia, A.; Widjonarko, N.E.; Sigdel, A.K.; Steirer, K.X.; Olson, D.C.; Parilla, P.A.; Ginley, D.S.; Armstrong, N.R.; Richards, R.E., et al. "Highly-tunable nickel cobalt oxide as a low-temperature p-type contact in organic photovoltaic devices." Advanced Energy Materials (2013), 3(4), 524-531. DOI:10.1002/aenm.201200742.
  • Periasamy, P.; Guthrey, H.L.; Abdulagatov, A.I.; Ndione, P.F.; Berry, J.J.; Ginley, D.S.; George, S.M.; Parilla, P.A.; O'Hayre, R.P. "Metal-Insulator-Metal Diodes: Role of the Insulator Layer on the Rectification Performance." Advanced Materials 25(9), 1301-1308 (2013). DOI: 10.1002/adma.201203075.

Synergistic Activities

  • P.I. Roles: Chief Scientist, Experiment: Leads experimental research, integrating with theory for the Center for Inverse Design EFRC; Solar Energy Research Institute for India and the US (SERIIUS) Co-Director; PI on CRADAs with Heliovolt, Solvay, New Energy Technologies, and Parent Technology Group.
  • President's Award, 2007: Award given by the U.S. president for exceptional volunteers
  • Materials Research Society: past society President, current Chair of Meetings Committee
  • Adjunct Professor of Physics at CU Boulder (currently advising one student) and Research Professor of Physics at the Colorado School of Mines (advising six students)
  • Editor, MRS Energy and Sustainability – A Review Journal; Editor, Nature Frontiers in Solar Energy; Associate Editor, Nature Scientific Reports, JMR
 

ROY G. GORDON

Role in Center:
Current Affiliation: Harvard University

Education and Training

  • Postdoctoral, Statistical Mechanics, University of Brussels, Belgium, 1965–1966
  • Postdoctoral, Molecular Spectroscopy, University of Toronto, Canada, 1964–1965
  • Ph.D., Chemical Physics, Harvard University, 1964
  • M.A., Physics, Harvard University, 1962
  • B.A., Summa cum Laude, Chemistry and Physics, Harvard College, 1961

Research and Professional Experience

  • Director, Center for Nanoscale Systems, Harvard University, 2010–2013
  • Professor of Materials Science, Harvard University, 2011–Present
  • Chairman, Department of Chemistry, Harvard University, 1992–1995
  • Thomas D. Cabot Professor of Chemistry, Harvard University, 1982–Present
  • Professor, Harvard University, 1969–1982
  • Assistant Professor, Harvard University, 1966–1969
  • Junior Fellow, Harvard University, 1964–1966

Publications

  • Prasert Sinsermsuksakul, Katy Hartman, Sang Bok Kim, Jaeyeong Heo, Leizhi Sun, Helen Hejin Park, Rupak Chakraborty, Tonio Buonassisi and Roy G. Gordon, "Enhancing the efficiency of SnS solar cells via band-offset engineering with a zinc oxysulfide buffer layer," Appl. Phys. Lett. 102, 053901/053901-053901/053905 (2013).
  • Prasert Sinsermsuksakul, Rupak Chakraborty, Sang Bok Kim, Steven M. Heald, Tonio Buonassisi and Roy G. Gordon, "Antimony-Doped Tin(II) Sulfide Thin Films," Chem. Mater. 24, 4556-4562 (2012).
  • Jaeyeong Heo, Sang Bok Kim and Roy G. Gordon, "Atomic layer deposition of tin oxide with nitric oxide as an oxidant gas," J. Mater. Chem. 22, 4599-4602 (2012).
  • Jaeyeong Heo, Sang Bok Kim and Roy G. Gordon, "Atomic layer deposited zinc tin oxide channel for amorphous oxide thin film transistors," Appl. Phys. Lett. 101, 113507/113501-113507/113505 (2012).
  • Roy G. Gordon, Xinwei Wang, Titta Aaltonen, Ho-Jin Son, Chaiya Prasittichai and Joseph T. Hupp, "Selective ALD of SiO2 on Dye-Sensitized Solar Cells," Proc. AVS Atomic Layer Deposition Conf. (2012).
  • Jaeyeong Heo, Yiqun Liu, Prasert Sinsermsuksakul, Zhefeng Li, Leizhi Sun, Wontae Noh and Roy G. Gordon, "(Sn,Al)Ox Films Grown by Atomic Layer Deposition," J. Phys. Chem. C 115, 10277-10283 (2011).
  • Jaeyeong Heo, Adam S. Hock and Roy G. Gordon, "Low Temperature Atomic Layer Deposition of Tin Oxide," Chem. Mater. 22, 4964-4973 (2010).
  • Yeung Au, Youbo Lin and Roy G. Gordon, "Filling Narrow Trenches by Iodine-Catalyzed CVD of Copper and Manganese on Manganese Nitride Barrier/Adhesion Layers," J. Electrochem. Soc. 158, D248-D253 (2011).
  • Booyong S. Lim, Antti Rahtu and Roy G. Gordon, "Atomic Layer Deposition of Transition Metals," Nature Materials 2, 749-754 (2003).
  • Dennis M. Hausmann; Jill Becker; Shenglong Wang and Roy G. Gordon, "Rapid Vapor Deposition of Highly Conformal Silica Nanolaminates," Science, 298, 402-406 (2002).

Synergistic Activities

Professor Gordon invented a number of materials and processes for their production, patented them, licensed them to industry, and worked closely with them to transfer and adapt the techniques to the needs of industry. These processes are now the basis for billions of dollars of new products that have resulted from the PI's effective transfer of technology from his laboratory to industry.

  • Energy-Conserving Windows. Gordon invented a structure (multilayers of tin oxide and silica) and process (a chemical vapor deposition method) now used world-wide by the glass industry for production of energy-efficient window coatings. These coatings are saving billions of gallons of heating oil (or its energy equivalent) every year.
  • Solar Cells. Gordon helped the solar cell industry to adopt his tin oxide coatings for thin-film photovoltaic cells that convert sunlight directly to electricity. Commercial cells made from amorphous silicon and cadmium telluride use this technology.
  • Diffusion Barriers for Interconnections in Microelectronics. A CVD process discovered by Gordon is now used to form thin barrier layers of titanium nitride that prevent metals (Cu and Al) from diffusing out of the interconnecting micro-circuits on a chip and disrupting its transistors.
  • Durable Electroluminescent Displays. Electroluminescent displays are widely used for backlighting displays in handheld microelectronic devices, cars, and signs. Aluminum nitride layers, deposited by a process found by Gordon, protect these displays from destruction by water vapor.
  • Improved Computers. As the semiconductor industry squeezes more bits into memory chips and increases the speed of transistors, electrical insulators with higher dielectric constant are needed. Gordon discovered a method that is highly suitable for depositing such materials. He is now actively involved in testing and transferring this technology to the semiconductor industry.
 

BRIAN P. GORMAN

Role in Center:
Current Affiliation: Colorado School of Mines

Education and Training

  • Ph.D., Ceramic Engineering,University of Missouri – Rolla, 2003
  • B.S., Ceramic Engineering, University of Missouri – Rolla, 1996

Research and Professional Experience

  • Director, Materials Science Program, Colorado School of Mines, Golden, Colorado, 2011–Present
    Implements academic objectives for the interdisciplinary program; oversees core course content, teaching assistants, fellowships, admission, qualifying exams, and graduation requirements.
  • Associate Professor, Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, Colorado, 2011–Present
    Conducts research associated with atomic scale characterization of electronic materials, especially semiconductor devices and oxide dielectrics; teaches courses related to ceramic processing, materials characterization, and semiconductor devices.
  • Assistant Professor, Department of Metallurgical and Materials Engineering, Colorado School of Mines, Golden, Colorado, 2009–2011
    Conducted research associated with atomic scale characterization of electronic materials, especially semiconductor devices and oxide dielectrics; taught courses related to ceramic processing, materials characterization, and semiconductor devices.
  • Research Associate, National Renewable Energy Laboratory, Golden, Colorado, 2007
    Conducted research related to atomic scale characterization of photovoltaic devices.
  • Assistant Professor, Department of Materials Science and Engineering, University of North Texas, Denton, Texas, 2005–2008
    Conducted research associated with atomic scale characterization of electronic materials, especially semiconductor devices and oxide dielectrics; taught courses related to materials characterization and semiconductor devices.
  • Research Scientist, Texas Instruments and University of North Texas, Dallas, Texas, 2001–2005
    Conducted research related to processing, nanostructure, mechanical, and dielectric properties of porous low-k dielectrics, ferroelectric memory, MBE growth of SiGe, and MBE growth of isoelectronically doped III-V devices.

Publications

  • G. Scappucci, W. M. Klesse, A. R. Hamilton, G. Capellini, D. L. Jaeger, M.R. Bischof, R.F. Reidy, B.P. Gorman, and M. Y. Simmons."3D Epitaxial Circuits in Germanium: Stacking of Two-Dimensional Electron Gases Probed at the Atomic-Level." Nano Lett. 12 (2012) 4953–4959.
  • S.W. Schmucker, N. Kumar, J.R. Abelson, S.R. Daly, G.S. Girolami, M.R. Bischof, D.L. Jaeger, R.F. Reidy, B.P. Gorman, J. Alexander, J.B. Ballard, J.N. Randall, and J.W. Lyding. "Field-Directed Sputter Sharpening for Tailored Probe Materials and Atomic-Scale Lithography." Nature Communications 3 (2012) 935.
  • D.R. Diercks, B.P. Gorman, R. Kirchhofer, N.Sanford, K. Bertness, and M. Brubaker. "Atom probe tomography evaporation behavior of C-axis GaN nanowires: Crystallographic, stoichiometric, and detection efficiency aspects." J. Appl. Phys. 114 (2013) 184903.
  • R. Kirchhofer, M.C. Teague, and B.P. Gorman. "Thermal effects on mass and spatial resolution during laser pulse atom probe tomography of cerium oxide." J. Nuc. Mat. 436 (2013) 23-28.
  • T.F. Kelly, D.J. Larson, K. Thompson, R. Alvis, J. Bunton, J.D. Olson, and B.P. Gorman, "Atom Probe Tomography of Electronic Materials." Annual Review of Materials Research 37 (2007) 681-727.
  • B.P. Gorman, A.G. Norman, and Y. Yan. "Atom Probe Analysis of III-V and Si based Photovoltaic Structures." Microscopy and Microanalysis 13 (2007) 493-502.
  • L. Shao, B.P. Gorman, A. Aitkaliyeva, N.D. Theodore, and G. Xie. "Nanometer-Scale Tunnel Formation in Metallic Glass by Helium Ion Irradiation." Appl. Phys Lett. 101 (2012) 041901-1 to 041901-4.
  • F. Liu, C.-S. Jiang, H. Guthrey, S. Johnston, M.J. Romero, B. P. Gorman, and M.M. Al-Jassim. "Optical response of grain boundaries in upgraded metallurgical-grade silicon for photovoltaics." Solar Energy Materials and Solar Cells 95 (2011) 2497-2501.
  • K. Thompson, D. Lawrence, D. J. Larson, J. D. Olson, T. F. Kelly, B. Gorman, "In situ site-specific specimen preparation for atom probe tomography." Ultramicroscopy 107 (2007) 131-139.
  • B.P. Gorman, A. Puthucode, D.R. Diercks, and M.J. Kaufman. "Cross-correlative TEM and Atom Probe Analysis of Partial Crystallization in NiNbSn Bulk Metallic Glasses." Materials Science and Technology 24 (2008) 496-504.

Synergistic Activities

  • Director, Microanalysis Society, 2013–2016
  • Session Chair, 2005, 2006, 2007, 2008, 2011, Microscopy and Microanalysis meetings related to atomic scale microanalysis
  • Developer of hardware for cross-correlative FIB / TEM / APT / STM currently used in more than 15 research laboratories worldwide (with Hummingbird Scientific)
  • Proposal reviewer for NSF, DOE-BES, PNNL, BNL, and several international organizations; manuscript reviewer for 20+ archival publications; active member of APS, ACerS, Microanalysis Society, MRS, IEEE, AVS, and IFES
  • Co-chair, "Nano-Phenomena and Interfacial/Surface Effects in Electronic Ceramics," Electronic Materials and Applications 2010 and 2011 Meetings, Orlando, Florida, sponsored by the American Ceramic Society
 

ALEXIE M. KOLPAK

Role in Center: Thrust 1 Co-Leader (Theory)
Current Affiliation: Massachusetts Institute of Technology

Education and Training

  • Postdoctoral, Materials Science, MIT, 2010–2012
  • Postdoctoral, Applied Physics, Yale University, 2007–2010
  • Ph.D., Physical Chemistry, University of Pennsylvania, 2007
  • Chemistry, University of Pennsylvania, M.S., 2002
  • Biochemistry, University of Pennsylvania, B.A., 2002

Research and Professional Experience

  • Assistant Professor, Department of Mechanical Engineering, MIT, 2012–Present
    First-principles computational investigation of and novel materials design for (i) dynamically tunable CO2 conversion catalysts, (ii) H2O splitting photocatalysts, and (iii) nanostructured hybrid photovoltaics. Development of new computational approaches for modeling realistic solid-solid and aqueous-solid interfaces.
  • Postdoctoral Associate, Department of Materials Science and Engineering, MIT, 2010–2012
    Used first-principles computations to design novel materials for solar energy harvesting and storage in the form of solar thermal fuels and nanostructured photovoltaics. Led combined theory/experiment solar thermal fuels research thrust.
  • Postdoctoral Associate, Department of Applied Physics, Yale University, 2007–2010
    In collaboration with experimental colleagues, used first-principles computations to predict the kinetically trapped SrTiO3/Si interface structure and investigate its electronic properties as a function of environment. Designed a novel class of ultrathin ferroelectrics.

Publications

  • B. Kolb and A.M. Kolpak. "Ultrafast bandgap oscillations in iron pyrite." Phys. Rev. B, in press (2013).
  • K.F. Garrity, A.M. Kolpak, and S. Ismail-Beigi. "Ferroelectric surface chemistry: a first- principles study of CO2 on PbTiO3." Phys. Rev. B 88, 045401 (2013).
  • A.M. Kolpak and J.C. Grossman. "Hybrid chromophore/template nanostructures: a customizable platform material for solar energy storage and conversion." J. Chem. Phys. 138, 034303 (2013).
  • A.M. Kolpak and S. Ismail-Beigi. "Interface structure and film polarization in epitaxial SrTiO3/Si(001)." Phys. Rev. B 85, 195318 (2012).
  • K. Garrity, A.M. Kolpak, S. Ismail-Beigi. "Growth and interfacial properties of epitaxial oxides on semiconductors: ab initio insights." J. Mater. Science 47, 7417 (2012).
  • A.M. Kolpak and S. Ismail-Beigi. "Thermodynamic stability and growth kinetics of epitaxial SrTiO3 on silicon." Phys. Rev. B 83, 165318 (2011).
  • A.M. Kolpak and J.C. Grossman. "Azobenzene-Functionalized Carbon Nanotubes as High-Energy Density Solar Thermal Fuels." Nano Letters, 11, 31563162 (2011).
  • A.M. Kolpak, F.J. Walker, J.W. Reiner, Y. Segal, D. Su, M.S. Sawicki, C.C. Broadbridge, Z. Zhang, Y. Zhu, C.H. Ahn, and S. Ismail-Beigi. "Inhibition of ferroelectricity in Si/SrTiO3 due to intrinsic interface effects." Phys. Rev. Lett. 105, 217601 (2010).
  • J.W. Reiner, A.M. Kolpak, Y. Segal, K.F. Garrity, S. Ismail-Beigi, C.H. Ahn, and F J. Walker. "Crystalline oxides on semiconductors." Adv. Mater. 22, 29192938 (2010).
  • H. Chen, A.M. Kolpak, and S. Ismail-Beigi. "Electronic and magnetic properties of the SrTiO3/LaAlO3 interface from first-principles." Adv. Mater. 22, 28812899 (2010).

Synergistic Activities

  • Developed lecture and interactive online material for the first mechanical engineering course on edX: 2.01x Elements of Structures (Spring 2013)
  • Volunteer mentor within the Graduate Women at MIT (GWAMIT) Mentoring Program (2013–Present)
  • Involved in MEGA Women, the Mechanical Engineering Graduate Association for Women (2012–Present)
  • Volunteer mentor for women pursuing STEM degrees in the WitsOn (Women in Technology Sharing Online) program (2012–Present)
 

STEPHAN LANY

Role in Center: Thrust 2 Co-Leader (Theory)
Current Affiliation: National Renewable Energy Laboratory

Education and Training

  • Ph.D., Physics, Universität des Saarlandes, Saarbrücken, Germany, 2002
  • Diplom, Physics, Universität des Saarlandes, Saarbrücken, Germany, 1998

Research and Professional Experience

  • Senior Scientist, National Renewable Energy Laboratory, Golden, Colorado, 2008–Present
  • Research Scientist, National Renewable Energy Laboratory, Golden, Colorado, 2006–2008
  • Postdoctoral Researcher with Alex Zunger, National Renewable Energy Laboratory, Golden, Colorado, 2003–2006
  • Research and Teaching Assistant, Universität des Saarlandes, Saarbrücken, Germany,
    1998–2003

Publications and Patents

  • Defect Tolerant Semiconductors for Solar Energy Conversion, A. Zakutayev, C.M. Caskey, A.N. Fioretti, D.S. Ginley, J. Vidal, V. Stevanovic, E. Tea,and S. Lany, J. Phys. Chem. Lett. 5, 1117 (2014).
  • Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films, A. Zakutayev, N.H. Perry, T.O. Mason, D.S. Ginley, S. Lany, Appl. Phys. Lett. 103, 232106 (2013).
  • Control of the electrical properties in spinel oxides by manipulating the cation disorder, P.F. Ndione, Y. Shi, V. Stevanovic, S. Lany, A. Zakutayev, P.A. Parilla, J.D. Perkins, J.J. Berry, D.S. Ginley, M.F. Toney, Adv. Funct. Mater. 24, 610 (2013).
  • Convergence of density and hybrid functional defect calculations for compound semiconductors, H. Peng, D. Scanlon, V. Stevanovic, J. Vidal, G. Watson, S. Lany, Phys. Rev. B 88, 115201 (2013).
  • Polymorphic energy ordering of MgO, ZnO, GaN, and MnO within the random phase approximation, H. Peng, S. Lany, Phys. Rev. B 87, 174113 (2013).
  • Band-structure calculations for the 3d transition metal oxides in GW, S. Lany, Phys. Rev. B 87, 085112 (2013).
  • Semiconducting transition-metal oxides based on d5 cations: Theory for MnO and Fe2O3,
    H. Peng, S. Lany, Phys. Rev. B 85, 201202(R) (2012).
  • Charge self-regulation upon changing the oxidation state of transition metals in insulators, H. Raebiger, S. Lany, A. Zunger, Nature 453, 763 (2008).
  • Semiconductor thermochemistry in density functional calculations, S. Lany, Phys. Rev. B 78, 245207 (2008).
  • Dopability, Intrinsic Conductivity, and Nonstoichiometry of Transparent Conducting Oxides, S. Lany, A. Zunger, Phys. Rev. Lett. 98, 045501 (2007).

Synergistic Activities

  • Project Leadership: Principal investigator (PI) in a Next-Generation Photovoltaics II project within the DOE SunShot Initiative; PI and NREL theory lead in the EFRC Center for Inverse Design
  • Peer Review: Nature Communications, Physical Review Letters, Physical Review B, Applied Physics Letters, Journal of Applied Physics, Journal of Physical Chemistry, Physica status solidi B, Physica Status Solidi: Rapid Research Letters, Thin Solid Films, Journal of Chemical Physics, Inorganic Chemistry, Journal of Electronic Materials, Modelling and Simulation in Materials Science and Engineering; peer review of research proposals for NSF; external evaluations of candidate for Virginia Commonwealth University
  • Professional Memberships: American Physical Society, Materials Research Society, American Chemical Society
 

DANIEL G. NOCERA

Role in Center: Thrust 4 Co-Leader (Experimental)
Current Affiliation: Harvard University

Education and Training

  • Ph.D., Chemistry, California Institute of Technology, 1984
  • B.S., Chemistry, Rutgers University, 1979

Research and Professional Experience

  • Patterson Rockwood Professor of Energy, Harvard University, 2013–Present
  • Visiting Professor of Chemistry and Chemical Biology, Harvard University, 2012–2013
  • Hannah Visiting Professor of Chemistry, Michigan State University (MSU), 2010–Present
  • Henry Dreyfus Professor of Energy, Massachusetts Institute of Technology (MIT), 2007–2013
  • Director, Solar Revolutions Project, MIT, 2008–2013
  • Director, Solar Frontiers Center, MIT, 2008–2013
  • W. M. Keck Professor of Energy, MIT, 2002–2007
  • Professor of Chemistry, MIT, 1997–2013
  • University Distinguished Professor, MSU, 1997
  • Assistant, Associate, Full Professor of Chemistry, MSU, 1983–1997

Publications

  • M. Huynh, D.K. Bediako and D.G. Nocera. "A Functionally Stable Manganese Oxide Oxygen Evolution Catalyst in Acid." J. Am. Chem. Soc. 2014, 136, 6002–10.
  • T.J. Kempa, S.-K. Kim, R.W. Day, H.-G. Park, D.G. Nocera and C.M. Lieber. "Facet-Selective Growth on Nanowires Yields Multi-Component Nanostructures and Photonic Devices." J. Am. Chem. Soc. 2013, 135, 18354–7.
  • C.L. Farrow, D.K. Bediako, Y. Surendranath, D.G. Nocera and S.J.L. Billinge. "Intermediate-Range Structure of Self-Assembled Cobalt-based Oxygen Evolving Catalysts." J. Am. Chem. Soc. 2013, 135, 6403–6.
  • Y. Surendranath, D.A. Lutterman, Y. Liu and D.G. Nocera. "Nucleation, Growth, and Repair of a Cobalt–Based Oxygen Evolving Catalyst." J. Am. Chem. Soc. 2012, 134, 6326–36.
  • S.W. Lee, C. Carlton, M. Risch, Y. Surendranath, S. Chen, S. Furutsuki, A. Yamada, D.G. Nocera and Y. Shao–Horn. "The Nature of Lithium-Battery Materials Under Oxygen Evolution Reaction Conditions." J. Am. Chem. Soc. 2012, 134, 16959–62.
  • T. Han, J.S. Helton, S. Chu, D.G. Nocera, J.A. Rodriguez-Rivera, C. Broholm, and Y.S. Lee. "Fractionalized Excitations in the Spin Liquid State of a Kagomé Lattice Antiferromagnet." Nature 2012, 492, 406–10.
  • Y. Surendranath, D. K. Bediako and D. G. Nocera. "Interplay of Oxygen Evolution Kinetics and Photovoltaic Power Curves on the Construction of Artificial Leaves." Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 15617–21.
  • N. Lopez, D.J. Graham, R. McGuire Jr., G.E. Alliger, Y. Shao–Horn, C.C. Cummins and D.G. Nocera. "Reversible Reduction of Oxygen to Peroxide Facilitated by Molecular Recognition." Science 2012, 335, 450–3.
  • Y. Surendranath and D.G. Nocera. "Oxygen Evolution Reaction Chemistry of Oxide–Based Electrodes." Prog. Inorg. Chem. 2011, 57, 505–60.
  • S.Y. Reece, J.A. Hamel, K. Sung, T.D. Jarvi, A.J. Esswein, J.J.H. Pijpers and D.G. Nocera. "Wireless Solar Water Splitting using Silicon–Based Semiconductors and Earth–Abundant Catalysts." Science 2011, 334, 645–8.

Synergistic Activities

  • Organizer to and primary author for four DOE Basic Research Need workshops (Hydrogen, Solar Energy, Energy Storage, and Catalysis), and he is the primary author of the Grand Challenges report (Directing Matter and Energy: Five Challenges for Science and the Imagination).
  • Began the first Gordon Research Conference on Renewable Energy.
  • Serves as a frequent guest on TV and radio and is regularly featured in print. His 2006 NOVA show was nominated for an Emmy Award. He was featured in a feature-length film, Cool It, and his film with PF Pictures won the Jury Prize Award at the 2013 Sundance Film Festival.
  • Produced the pilot that was used by PBS to raise over $10 million to launch the PBS show ScienceNow, now a regularly programmed show on PBS.
  • Designed permanent energy exhibits for the Boston Museum of Science and the MIT Museum.
 

JOHN PERKINS

Role in Center: Thrust 5 Co-Leader
Current Affiliation: National Renewable Energy Laboratory

Education and Training

  • Postdoctoral training, National Renewable Energy Laboratory, 1994–1996
  • Postdoctoral training, Massachusetts Institute of Technology (MIT), 1994
  • Ph.D., Physics, MIT, 1994
  • B.A., Physics, Harvard University, 1985

Research and Professional Experience

  • Senior Scientist 2, National Renewable Energy Laboratory, 2004–Present
  • Co-PI DOE EFRC Center for Inverse Design. Program Integrator starting Nov. 2013
  • Co-PI DOE EERE SETP Transparent Contacts for PV
  • 15+ years materials specialization in mixed metal oxide and related thin film materials
  • 10+ years developing and applying high-throughput combinatorial methods
  • Advise graduate students from Colorado School of Mines and University of Colorado
  • More than 60 peer-reviewed journal publications
  • Senior Scientist 1, National Renewable Energy Laboratory, 1999–2004
  • Project Specific Scientist, National Renewable Energy Laboratory, 1996–1999
  • Postdoctoral Research Associate, National Renewable Energy Laboratory, 1994–1996
  • Scientist, Science Research Laboratory, Inc., 1985–1987

Publications and Patents

Publications

  • "Surface Origin of High Conductivities in Undoped In2O3 Thin Films," S. Lany, A. Zakutayev, T.O. Mason, J.F. Wager, K.R. Poeppelmeier, J.D. Perkins, J.J. Berry, D.S. Ginley, and A. Zunger, Physical Review Letters, 108, 016802, doi:10.1103/PhysRevLett.108.016802 (2012).
  • "Control of the Electrical Properties in Spinel Oxides by Manipulating the Cation Disorder," P.F. Ndione, Y.Z. Shi, V. Stevanovic, A. Zakutayev, S. Lany, P.A. Parilla, J.D. Perkins, J.J. Berry, D.S. Ginley, and M.F. Toney, Advanced Functional Materials, doi:10.1002/adfm.201302535 (2013).
  • "Li-Doped Cr2MnO4: A New p-Type Transparent Conducting Oxide by Computational Materials Design," H. Peng, A. Zakutayev, S. Lany, T.R. Paudel, M. d'Avezac, P.F. Ndione, J.D. Perkins, D.S. Ginley, A.R. Nagaraja, N.H. Perry, T.O. Mason, and A. Zunger, Advanced Functional Materials, online, doi:DOI: 10.1002/adfm.201300807 (2013).
  • "Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels," J.D. Perkins, T.R. Paudel, A. Zakutayev, P.F. Ndione, P.A. Parilla, D.L. Young, S. Lany, D.S. Ginley, A. Zunger, N.H. Perry, Y. Tang, M. Grayson, T.O. Mason, J.S. Bettinger, Y.Z. Shi, and M.F. Toney, Physical Review B, 84, 205207, doi:10.1103/PhysRevB.84.205207 (2011).
  • "Development and application of an instrument for spatially resolved Seebeck coefficient measurements," A. Zakutayev, F.J. Luciano, V.P. Bollinger, A.K. Sigdel, P.F. Ndione, J.D. Perkins, J.J. Berry, P.A. Parilla, and D.S. Ginley, Review of Scientific Instruments, 84, 053905, doi:10.1063/1.4804634 (2013).
  • "Cation off-stoichiometry leads to high p-type conductivity and enhanced transparency in Co2ZnO4 and Co2NiO4 thin films," A. Zakutayev, T.R. Paudel, P.F. Ndione, J.D. Perkins, S. Lany, A. Zunger, and D.S. Ginley, Physical Review B, 85, 085204, doi:10.1103/PhysRevB.85.085204 (2012).
  • "Zn-Ni-Co-O wide-bandgap p-type conductive oxides with high work functions," A. Zakutayev, N.E. Widjonarko, J.D. Perkins, P.A. Parilla, J.J. Berry, and D.S. Ginley, MRS Communications, 1, 23, doi:10.1557/mrc.2011.9 (2011).
  • "Improving the Mobility Through Defect Pairing in Wide-Band-Gap Conductive Ga-doped Zn0.7Mg0.3O," Y. Ke, S. Lany, J.J. Berry, J. Perkins, A. Zakutayev, T. Ohno, B. Gorman, R. O'Hayre, D.S. Ginley, in-press, Advanced Functional Materials, Nov. (2013).
  • "Conductivity and transparency in amorphous In-Zn-O transparent conductors." J.D. Perkins, M. Van Hest, M.P. Taylor, D.S. Ginley, International Journal of Nanotechnology 6, 850. (2009).

Patents

  • "Conformal Coating of Highly Structured Surfaces." David Ginley, John Perkins, Joseph Berry, Thomas Gennett, U.S. Patent # 8329502, Dec. 11, 2012.

Synergistic Activities

  • Principal Investigator and Program Integrator for the Center for Inverse Design, a DOE-funded Energy Frontier Research Center; co-PI of DOE EERE SETP Transparent Contacts for PV at NREL. Lead of NREL experimental program on new transparent conducting oxides for PV; SERIIUS (Solar Energy Research Institute of India and the U.S) Project Leader for "Novel Materials for Intrinsic Stability in Harsh Environments"
  • Graduate Faculty, Dept. of Physics at University of Colorado – Boulder; currently advising two students in the area oxysulfide materials for PV applications
  • Member of Materials Research Society and co-organizer of six Materials Research Society symposia, including five on transparent conducting oxides and related materials; lead organizer for MRS Fall 2013 Symposium on Materials by Design and associated tutorial.
  • Reviewer for Journal of Applied Physics, Applied Physics Letters, Applied Physics Reviews, Physical Review B, Journal of Materials Research, Thin Solid Films, Applied Functional Materials
 

KRISTIN A. PERSSON

Role in Center: Thrust 6 Co-Leader
Current Affiliation: University of California, Berkeley

Education and Training

  • Ph.D., Theoretical Physics (Computational Materials Science), Royal Institute of Technology (KTH), Sweden, 1996–2001 (Thesis: Thermodynamical and Dynamical Instabilities from Ab Initio Electronic-Structure Calculations. Advisor: Göran Grimvall)
  • M.S., Engineering Physics, Lund Institute of Technology (LTH), Sweden, 1991–1996 (Thesis: Neutrino Oscillations and the Solar Neutrino Problem. Advisor: Cecilia Jarlskog)

Research and Professional Experience

  • Assistant Professor, Department of Materials Science and Engineering, UC Berkeley, CA, 2015–Present
  • Consulting Faculty Member, Stanford University, CA, 2014–Present
  • Staff Scientist, Lawrence Berkeley National Laboratory, California, 2013–2015
  • Chemist Research Scientist, Lawrence Berkeley National Laboratory, California, 2008–2013
  • Senior Scientist, Computational Modeling Consultants Inc., Wellesley, Massachusetts, 2005–Present
  • Research Associate, Department of Materials Science and Engineering, MIT, 2007–2008
  • Postdoctoral Associate, Department of Materials Science and Engineering, MIT, 2004–2007
  • Consultant, Computational Modeling Consultants Inc., Wellesley, Massachusetts, 2001–2002
  • Postdoctoral Associate, Department of Materials Science and Engineering, MIT, 2001–2002

Persson Full CV PDF

 

VLADAN STEVANOVIC

Role in Center: Thrust 3 Co-Leader (Theory)
Current Affiliation: Colorado School of Mines

Education and Training

  • Postdoctoral training, Solid State Theory, National Renewable Energy Laboratory, 2009–2012
  • Graduate, Solid State Theory, Swiss Federal Institute of Technology Lausanne, 2005–2009
  • Masters, Theoretical Physics, University of Belgrade, Serbia, 2004

Research and Professional Experience

  • Research Assistant Professor, Colorado School of Mines, 2012–Present
    As a Research Professor, main duty is to conduct research and develop new funding opportunities. Research concentrates around two main themes: novel materials for renewable energy and computational materials science. The focus is on design and application of accurate and high-throughput computational approaches able to screen across large chemical spaces. The generated data, in addition to directly pointing to materials with desired functionalities, allows for the application of modern data mining techniques to reveal chemical trends and deeper relations between the composition, structure, and properties.
  • Postdoctoral Researcher, National Renewable Energy Laboratory, 2009–2012
    As a postdoctoral researcher, was engaged within the Center for Inverse Design to work on the problem of inverting conventional approaches in materials science (here is the material, explain its properties) in searching for novel materials for renewable energy applications.
  • Doctoral Assistant, Swiss Federal Institute of Technology, Lausanne, 2005–2009
    As doctoral assistant, i.e., Ph.D. student, was engaged in both research and teaching. The subject of research project was modeling small transition metals clusters supported by oxide surfaces. The main goal was to study the dependence of catalytic activity as a function of the oxide surface used as a support. Teaching amounted to 25% of effort and included holding the exercise sessions and exams.

Publications and Patents

  • V. Stevanovic, S. Lany, D. S. Ginley, W. Tumas, and A. Zunger, "Assessing Capability of Semiconductors to Split Water Using Ionization Potentials and Electron Affinities Only," accepted in Phys. Chem. Chem. Phys. DOI:10.1039/c3cp54589j.
  • P. F. Ndione, Y. Shi, V. Stevanovic, A. Zakutayev, J. S. Bettinger, S. Lany, P. A. Parilla, J. D. Perkins, J. J. Berry, N. H. Perry, D. S. Ginley, M. F. Toney, "Control of the conductivity by disorder in normal Co2ZnO4 and inverse Co2NiO4 spinel," accepted in Adv. Func. Mat. DOI:10.1002/adfm.201302535.
  • H. Peng, D. O. Scanlon, V. Stevanovic, J. Vidal, G. W. Watson, and S. Lany, "Convergence of density and hybrid functional defect calculations for compound semiconductors," Phys. Rev. B 88, 115201 (2013). DOI:10.1103/PhysRevB.88.115201.
  • J. Vidal, X. Zhang, V. Stevanovic, J.-W. Luo, and A. Zunger, "Large insulating gap in topological insulators induced by negative spin-orbit," Phys. Rev. B 86, 075316 (2012). DOI:10.1103/PhysRevB.86.075316.
  • X. Zhang, V. Stevanovic, M. d'Avezac, S. Lany, and A. Zunger, "Prediction of A2BX4 Metal-Chalcogenide Compounds Via First-Principles Thermodynamics," Phys. Rev. B 86, 014109 (2012). DOI:10.1103/PhysRevB.86.014109.
  • V. Stevanovic, X. Zhang, S. Lany, and A. Zunger, "Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies (FERE)," Phys. Rev. B 85, 115104 (2012). DOI:10.1103/PhysRevB.85.115104.
  • V. Stevanovic, M. d'Avezac, and A. Zunger, "Universal Electrostatic Origin of Cation Ordering in A2BX4 Spinel Oxides," J. Am. Chem. Soc. 133, 11649 (2011). DOI:10.1021/ja2034602.
  • V. Stevanovic, M. d'Avezac, and A. Zunger, "Simple Point-ion Electrostatic Model Explains the Cation Distribution in Spinel Oxides," Phys. Rev. Lett. 105, 075501, (2010). DOI:10.1103/PhysRevLett.105.075501.
  • V. Stevanovic, Z. Sljivancanin, and A. Baldereschi, "Role of C and CO Adsorbates on the Atomic Structure of Free and MgO(100) Supported Ir4 Clusters," J. Phys. Chem. C 114 , 15653 (2010). DOI:10.1021/jp101012b.
  • V. Stevanovic, Z. Sljivancanin, and A. Baldereschi, "Effect of Carbon Adsorption on the Isomer Stability of Ir4 Clusters," Phys. Rev. Lett. 99, 165501 (2007). DOI:10.1103/PhysRevLett.99.165501.

Synergistic Activities

  • Principal Investigator of the Center for Inverse Design, an Energy Frontier Research Center (EFRC) of the U.S. Department of Energy Office of Science, working on problems related to electronic structure of materials and materials thermodynamics
  • Co-developer of the LaDa software environment (unpublished) for performing high-throughput, first-principles calculations
  • Course lecturer, Solid State Applications and Phenomena, Colorado School of Mines, Fall 2013
  • Member of the EFRC Newsletter editorial board
 

JANET TATE

Role in Center: Thrust 3 Co-Leader (Experimental)
Current Affiliation: Oregon State University

Education and Training

  • Humboldt postdoc, Physics, Technische Universität München, 1987–1989
  • Ph.D., Physics, Stanford University, 1988
  • M.S., Physics, Stanford University, 1983
  • B.Sc. Hons, Physics, University of Natal (South Africa), 1981
  • B.Sc., Physics and Chemistry, University of Natal (South Africa), 1980

Research and Professional Experience

  • Professor of Physics, Oregon State University, 2002–Present
  • Adjunct Professor of Chemistry, Oregon State University, 2002–Present
  • Visiting Scientist, Strathclyde University, Scotland, 1995–1996
  • Associate Professor, Physics, Oregon State University, 1994–2002
  • Assistant Professor, Physics, Oregon State University, 1989–1994

Publications and Patents

  • J. Vidal, S. Lany, J. Francis, R. Kokenyesi, J. Tate, "Structural and electronic modification of photovoltaic SnS by alloying," Journal Applied Physics 115, 113507 (6 pages) (2014).
  • R. A. Wiedle, M. Warner, J. Tate, P. N. Plassmeyer, C. J. Page. "Thermal conductivity of amorphous thin-film Al-P-O on silicon." Thin Solid Films 548, 225–229 (2013). DOI: 10.1016/j.tsf.2013.09.085.
  • S. Sallis, L. F. J. Piper, J. Francis, J. Tate, H. Hiramatsu, T. Kamiya, H. Hosono. "Role of Metal Lone Pairs in Determining the Optoelectronic Properties of BiCuOSe." Physical Review B 85, 085207 (2012). DOI: 10.1103/PhysRevB.85.085207.
  • J. Vidal, S. Lany, M. d'Avezac, A. Zunger, A. Zakutayev, J. Francis, J. Tate. "Band-structure, optical properties, and defect physics of the photovoltaic semi-conductor SnS." Applied Physics Letters 100, 032104 (2012). DOI: 10.1063/1.3675880.
  • A.P. Richard, J. Russell, A. Zakutayev, L.N. Zakharov, D.A. Keszler, J. Tate. "Synthesis, structure and optical properties of BiCuOCh (Ch = S, Se, Te)." J. Solid State Chemistry 187, 15–19 (2012). DOI: 10.1016/j.jssc.2011.11.013.
  • Zakutayev, P.F. Newhouse, P.A. Hersh, D.A. Keszler, J. Tate. "Pulsed laser deposition of BiCuOSe thin films." Applied Physics A 102, 485–492 (2011). 10.1007/s00339-010-5946-z.
  • Zakutayev, J. Tate, and G. Schneider. "Defect physics of BaCuChF (Ch = S, Se, Te) wide-gap p-type semiconductors." Phys. Rev. B 82, 195204 (2010). DOI: 10.1103/PhysRevB.82.195204.
  • Zakutayev, J. Tate, H.A.S. Platt, D.A. Keszler, A. Barati, W. Jaegermann, A. Klein. "Band alignment at the BaCuSeF/ZnTe interface." Appl. Phys. Lett. 96, 162110 (2010). DOI: 10.1063/1.3405757.
  • Zakutayev, R. Kykyneshi, J. Kinney, D.H. McIntyre, G. Schneider, J. Tate. "Excitonic absorption and emission in thin-film BaCu(Q,Q')F Q, Q' = S, Se, Te." Physical Review B 81 155103 (2010). DOI: 10.1103/PhysRevB.81.155103.
  • J. Tate, H.L. Ju, J.C. Moon, A. Zakutayev, A.P. Richard, J. Russell, D.H. McIntyre. "Origin of p-type conduction in single crystal CuAlO2." Physical Review B 80, 165206 (2009). DOI: 10.1103/PhysRevB.80.165206.

Synergistic Activities

  • Professional service activities include membership in the American Physical Society Committee on Careers and Professional Development (2013–2015) and the American Physical Society Committee on Education (2005–2007). Organized a conference on Graduate Education in College Park, Maryland, in February 2008 as part of the latter.
  • 2005, 2002: Co-organizer for symposia on transparent electronics at Materials Research Society Fall Meetings.
  • 2007: Milton Harris Award in Basic Research (OSU College of Science award for outstanding research); 2002: Frederick H. Horne Award (OSU College of Science award for sustained excellence in teaching science); 1998: Thomas T. Sugihara Young Faculty Research Award (OSU College of Science award for outstanding research).
  • 1997–2005: Curriculum Development: Active member of the "Paradigms in Physics" group, initiated by an NSF grant (founding co-PI) to reform the upper-division physics curriculum. Group seeks to teach concepts that bridge traditional subdisciplines, using modern computer visualization techniques and integrated laboratories.
  • 1990–2004, 2008–2013: Expanding your Horizons, a successful science workshop for 7th and 8th grade girls. Gave several public lectures to high school students and the community members on topics in physics, materials, and career paths.
 

MICHAEL F. TONEY

Role in Center: Thrust 2 Co-Leader (Experimental)
Current Affiliation: Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory

Education and Training

  • Postdoctoral Fellow, Surface Physics, Risø National Laboratory, Denmark, 1983–1984
  • Ph.D., Surface Physics, University of Washington, 1983
  • B.S. with honors, Physics, California Institute of Technology, 1979

Professional Experience

  • Stanford Synchrotron Radiation Lightsource Materials Sciences Division Head, 2010–Present
  • Senior Scientific Staff, Stanford Synchrotron Radiation Lightsource, 2003–Present
  • Research Staff Member, IBM Almaden Research Center, 1984–2003
  • NATO Postdoctoral Fellow, Risø National Lab, Denmark, 1983–1984

Publications

  • "Atomic Structure of the Passive Oxide Film Formed on Iron," M.F. Toney, A.J. Davenport, L.J. Oblonsky, M.P. Ryan, C.M. Vitus, Physical Review Letters 79, 4282 (1997).
  • "Electrochemical Deposition of Copper on a Gold Electrode in Sulfuric Acid: Resolution of the Interfacial Structure," M.F. Toney, J.N. Howard, J. Richer, G.L. Borges, J.G. Gordon, O.R. Melroy, D. Yee, L.B. Sorensen, Phys. Rev. Lett. 75, 4472 (1995).
  • "Control of the Electrical Properties in Spinel Oxides by Manipulating the Cation Disorder," P.F. Ndione, Y. Shi, V. Stevanovic, S. Lany, A. Zakutayev, P.A. Parilla, J.D. Perkins, J.J. Berry, D.S. Ginley, M.F. Toney, Advanced Functional Materials, in press, DOI: 10.1002/adfm.201302535.
  • "Can polymorphism be used to form branched metal nanostructures?" A.P. LaGrow, S. Cheong, J. Watt, B. Ingham, M.F. Toney, D.A. Jefferson, R.D. Tilley, Adv. Mater. 25, 1552–1556 (2013).
  • "In Operando X-ray Diffraction and Transmission X-ray Microscopy of Lithium Sulfur Batteries," J. Nelson, S. Misra, Y. Yang, A. Jackson, Y. Liu, H. Wang, H. Dai, J.C. Andrews, Y. Cui, M.F. Toney, J. Am. Chem. Soc. 134, 6337−6343 (2012).
  • "Angle-resolved photoemission and quasiparticle calculation of ZnO: The need for d band shift in oxide semiconductors," L.Y. Lim, S. Lany, Y.J. Chang, E. Rotenberg, A. Zunger, M.F. Toney, Physical Review B 86, 235113 (2012).
  • "Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels," J.D. Perkins, T.R. Paudel, A. Zakutayev, P.F. Ndione, P.A. Parilla, D.L. Young, S. Lany, D.S. Ginley, A. Zunger; N.H. Perry, Y. Tang, M. Grayson, T.O. Mason, J.S. Bettinger, Y. Shi, M.F. Toney, Phys Rev B 84, 205207 (2011).
  • "In Situ Observation of Strain Development and Porosity Evolution in Nanoporous Gold Foils," C.J. Dotzler, B. Ingham, B.N. Illy, K. Wallwork, M.P. Ryan, M.F. Toney, Adv. Func. Mater. 21, 3697–3705 (2011).
  • "Lattice-strain control of exceptional activity in dealloyed fuel cell catalysts," P. Strasser, S. Koh, T. Anniyev, J. Greeley, K. More, C. Yu, Z. Liu, S. Kaya, D. Nordlund, H. Ogasawara, M.F. Toney, A. Nilsson, Nature Chemistry 2, 454–460 (2010).
  • "Liquid crystalline semiconducting polymers with high charge carrier mobility," I. McCulloch, M. Heeney, C. Bailey, K. Genevicius, I. MacDonald, M. Shkunov, D. Sparrowe, S. Tierney, R. Wagner, W. Zhang, M.L. Chabinyc, R.J. Kline, M.D. McGehee, M.F. Toney, Nature Materials 5, 328–333 (2006).

Synergistic Activities

  • Developed and employed novel characterization methods for probing materials structure, properties, and growth (for the Center for Inverse Design EFRC and beyond)
  • Co-organized "SSRL School on Hard X-ray Scattering: Techniques in Materials and Environmental Sciences," at SSRL, 2006, 2007, 2010, 2012; co-organized Synchrotron Radiation in Polymer Science 5, April 2012
  • Member of the Conceptual Design Review Committee for the NEXT (NSLS-II Experimental Tools) project at NSLS-II, 2011
  • Member of NIST Center for Neutron Research Beam Time Allocation Committee, 2005–2010
  • Co-chaired Materials Research Society Symposium on "Materials in Transition ─Insights from Synchrotron and Neutron Sources," Boston, Massachusetts, 2007
 

WILLIAM TUMAS

Role in Center: EFRC Director
Current Affiliation: National Renewable Energy Laboratory

Education and Training

  • Postdoctoral Research, California Institute of Technology, 1985–1987, NIH Postdoctoral Fellow, Chaim Wiezmann Fellow
  • Ph.D., Organic Chemistry, Stanford University, 1985, NSF Graduate Fellow, Hertz Foundation Fellow
  • B.A., Chemistry, Ithaca College, 1980, Summa cum Laude, Honors in Chemistry

Research and Professional Experience

  • Associate Laboratory Director, Materials and Chemical Science and Technology, National Renewable Energy Laboratory, Golden, Colorado, May 2013–Present
    Responsible for overall leadership, management, technical direction, and workforce development of the materials and chemical science and technology capabilities at NREL, spanning fundamental and applied R&D for renewable energy and energy efficiency for more than 200 staff. Key program areas include solar technologies and reliability, solar energy conversion for electricity and fuels, materials discovery and development for renewable energy technologies, hydrogen production and storage, and fuel cells. Also the NREL Point of Contact for DOE Office of Science, Basic Energy Sciences (2009–Present), responsible for primary sponsor interface, development of laboratory vision and strategy, and coordination of core programs and program development.
  • Center Director, Chemical and Materials Science, National Renewable Energy Laboratory, Golden, Colorado, November 2009–April 2013
    Responsible for overall leadership, management, technical direction, and workforce development for over 100 personnel integrating theory, chemistry, and materials science. Duties included Associate Director for the Renewable and Sustainable Energy Institute (RASEI), a joint institute between CU-Boulder and NREL.
  • Program Director, Applied Energy Programs, Los Alamos National Laboratory, Los Alamos, New Mexico, July 2006–November 2009
    Responsible for leadership, sponsor interface, management, development, and overall coordination for applied energy programs in renewable energy, energy efficiency, infrastructure and fossil energy ($35 million annual budget).
  • Program Manager, Office of Energy and Environmental Initiatives, Los Alamos National Laboratory, Los Alamos, New Mexico, May 2005–June 2006
    Over $9 million in funding for hydrogen production, storage, and utilization. (more than $30 million over five years). Also Director of Chemical Hydrogen Storage Center of Excellence (2004–2007), a DOE-EERE-funded Center ($30 million over 5 years) comprised of 11 institutions to develop new concepts, processes, and materials for on-board chemical hydrogen storage.
  • Group Leader, Inorganic Chemistry, Los Alamos National Laboratory, Los Alamos, New Mexico, October 1994–May 2005
    Manager and leader of a multidisciplinary group of 60–80 technical staff (more than $20 million annual funding). Co-Founder and Founding Board Member of Green Chemistry Institute and its transition to American Chemical Society.
  • Acting Office Director, Office of Science Programs, Los Alamos National Laboratory, Los Alamos, New Mexico, July 2002–January 2003
  • Research Scientist, Los Alamos National Laboratory, Los Alamos, New Mexico, July 1993–October 1994
  • Project Leader, Environmental and Oxidation Catalysis, DuPont Central Research and Development, Wilmington, Delaware, 1989–June 1993
  • Research Chemist, DuPont Central Research, Wilmington, Delaware, 1987–1989

Publications and Patents

  • V. Stevanovic, S. Lany, D.S. Ginley, W. Tumas, A. Zunger, "Assessing Capability of Semiconductors to Split Water Using Ionization Potentials and Electron Affinities Only," Phys. Chem. Chem. Phys. (2013), Accepted Manuscript. DOI: 10.1039/C3CP54589J.
  • P. Zawadzki, L.L. Baranowski, H. Peng, E.S. Toberer, D.S. Ginley, W. Tumas, A. Zakutayev, S. Lany, "Evaluation of Photovoltaic Materials within the Cu-Sn-S Family," Appl. Phys. Lett. 103, 253902 (2013).
  • W. Tumas, W. Lubitz, "Hydrogen: An Overview," Chemical Reviews, 107, 3900 (2007).
  • D.E. Schwarz, T.M. Cameron, P.J. Hay, B.L. Scott, W. Tumas, D. L. Thorn, "Hydrogen Evolution from Organic "Hydrides," Chemical Communications, p. 5919 (2005).
  • T.M. Cameron, J.C. Gordon, B.L. Scott, W. Tumas, "C-H activation of a 2,2'-bipyridine ligand within (mono) pentamethylcyclopentadienyl lutetium complexes," Chemical Communications, pp. 1398–1399 (2004).
  • J. DeSimone, W. Tumas, Eds, Green Chemistry Using Liquid and Supercritical Carbon Dioxide, Oxford Press (2003).
  • F. Liu, M.B. Abrams, R.T. Baker, W. Tumas, "Phase-separable catalysis using room temperature ionic liquids and supercritical carbon dioxide," Chemical Communications, pp.433–434 (2001).
  • H. Arakawa, et. al, "Catalysis Research of Relevance to Carbon Management: Progress,Challenges, and Opportunities," Chemical Reviews 101, 953 (2001).
  • G.B. Jacobson, T. Lee, K.P. Johnston, W. Tumas, "Enhanced Catalyst Reactivity and Separations in Water/Carbon Dioxide Emulsions," J. Am. Chem. Soc, 121, 11902 (1999).
  • 10 US Patents issued: 7,837,352; 7,736,531; 7,713,506; 7,439,369; 7,361,327; 6,949,238; 6,747,179; 6,479,708; 6,176,895; 6,111,064.

Synergistic Activities

  • Director, Center for Inverse Design Energy Frontier Research Center (2011–Present). Lead and manage integrated EFRC with five institutions (NREL, CU-Boulder, Oregon State, Northwestern, Colorado School of Mines, SLAC) aimed at discovering new materials by coupling theory, synthesis, and characterization ($20 million over 5 years).
  • Deputy Director, Solar Energy Research Institute for India and the United States (SERIIUS) (2012–Present). Joint institute with 31 institutions (universities, national labs, companies) in the United States and India to create disruptive technologies for photovoltaics and concentrated solar power ($50 million over 5 years including industry cost share).
  • Member of Four National Research Council Committees: Decadal Survey of Civil Aeronautics, Review and Evaluation of the Army Chemical Stockpile Disposal Program, Evaluation of Alternative Chemical Disposal Technologies, and Shipboard Pollution Control
  • Co-author of 10 NRC reports.
  • Organizer of E-MRS/MRS Bilateral Energy Conference, Lille, France 2014.
 

ANDRIY ZAKUTAYEV

Role in Center: Thrust 1 Co-Leader (Experimental)
Current Affiliation: National Renewable Energy Laboratory

Education and Training

  • Ph.D., Physics, Oregon State University, 2010
  • B.S., Electronics, Lviv Polytechnic National University (Ukraine), 2006

Research and Professional Experience

  • Scientist, National Renewable Energy Laboratory, May 2012–Present
    Lead PI for the DOE-funded project "Rapid Development of Earth-abundant Thin Film Solar Cells" and the LDRD-funded project "Basic Energy Science of Heterointerfaces." Helped develop funding and performed research for projects in the following: "Next-Generation Thermoelectric Materials for Direct Solar Power Conversion" and "Solar Thermoelectric Generators." Supervised five graduate students and several undergraduate students and interns.
  • Postdoctoral Researcher, National Renewable Energy Laboratory, May 2010–May 2012
    Performed research for the "Center for Inverse Design" EFRC; Helped develop funding and performed research for projects "Ternary Copper Nitride Absorbers" and "(Zn,Mg)Cu Oxysulfide Alloys."
  • Research Assistant, Department of Physics, Oregon State University, December 2007–April 2010
    Performed research for project "Bipolar Doping in Wide-Band-Gap Semiconductors" and completed a thesis on “BaCuChF (Ch = S, Se, Te) p-type transparent conductors.”

Publications and Patents

  • Zakutayev, N.H. Perry, T. O. Mason, D. S. Ginley, and S. Lany. "Non-Equilibrium Origin of High Electrical Conductivity in Gallium Zinc Oxide Thin Films." Appl. Phys. Lett. 103, 232106 (2013).
  • "Non-equilibrium Deposition of Phase Pure Cu2O Thin Films at Reduced Growth Temperature," APL Materials 2, 022105 (2014).
  • M. Yang, A. Zakutayev‎, J. Vidal, X. Zhang, D. S. Ginley, and F. J DiSalvo. "Strong Optical Absorption in CuTaN2 Nitride Delafossite." Ener. Envir. Sci. 6, 2994 (2013).
  • L. L. Baranowski, P.P Zawadzki, S. T. Christensen, D. Nordlund, S. Lany, A. C. Tamboli, L. Gedvilas, D. S. Ginley, W. Tumas, E. S. Toberer, A. Zakutayev, "Control of doping in Cu2SnS3 through defects and alloying," Chem. Mater. 26, 4951 (2014).
  • Zakutayev, X. Zhang, A. Nagaraja, L. Yu, S. Lany, T. O. Mason, D. S. Ginley, and A. Zunger. "Theoretical prediction and experimental realization of new stable inorganic materials using Inverse Design approach." J. Am. Chem. Soc. 135, 10048 (2013).
  • "Defect Tolerant Semiconductors for Solar Energy Conversion," J. Phys. Chem. Lett. 5, 1117 (2014).
  • E. Pentzer and A. Zakutayev. "Materials by design to overcome the second grand challenge," Frontiers in Energy Research, January 2013.
  • Zakutayev, J.D. Perkins, P.A. Parilla, N.E. Widjonarko, A.K. Sigdel, J.J. Berry, and D.S. Ginley. "Zn–Ni–Co–O wide-band-gap p-type conductive oxides with high work functions." MRS Communications 1, 23 (2011).
  • "Surface Origin of High Conductivities in Undoped In2O3 Thin Films," Phys. Rev. Lett. 108, 016802 (2012).
  • J. Tate, H. L. Ju, J. C. Moon, A. Zakutayev, A. P. Richard, J. Russell, and D. H. McIntyre. "Origin of p-type conduction in single crystal CuAlO2." Phys. Rev. B 80, 165206 (2009).
  • "Pulsed Laser Deposition and Properties BiCuOSe Thin Films," Appl. Phys.102, 485 (2011).
  • Zakutayev, R. Kykyneshi, D. McIntyre, G. Schneider, and J. Tate. "Electronic structure and excitonic absorption in BaCuChF (Ch = S, Se, Te)." Phys. Rev. B 81, 155103 (2010).
  • "Development and Application of an Instrument for Spatially Resolved Seebeck Coefficient Measurements," Rev. Sci. Instrum. 84, 053905 (2013).

Synergistic Activities

  • Center for Inverse Design: Co-PI in charge of high-throughput experiments for the NREL-led EFRC, Center for Inverse Design (CID)
  • Journal reviews: Appl. Phys. Lett., Journ. of Appl. Phys., Journ. Mater. Chem., AIP Advances, Thin Solid Films, Journ. of Mat. Sci., Journ. of Alloys and Comp., Journ. of Mat. Research, Optical Materials, Journ. Nanoscience and Nanotechn., Journ. of Photonics for Energy, Journ. of Phys. Chem. Lett., Jour. of Phys. and Chem. of Solids, Optics Express, Progress in Photovoltaics, Nature Reports, Nanoletters, Materials, Journ. of Photovoltaics, APL Materials
  • Other reviews: Proposal reviews for Office of Basic Energy Sciences (BES), U.S. Department of Energy and German Research Foundation (DFG); Energy educational course review, BSCS, funded by National Science Foundation (NSF), National Renewable Energy Laboratory Director's Fellowship candidate proposal review
  • Outreach: "Career choice" panelist for the Hands-on PV Experience (HOPE) program; "Industry Panel Session" panelist, Conference for Undergraduate Women in Physics, funded by American Physical Society
  • Involvement: Editorial board of the "Frontiers of Energy Research" Newsletter (January 2012–January 2013); student body president, Lviv Polytechnic National University (Ukraine) (September 2005–July 2006); organizer of the "Earth-Abundant Inorganic Solar-Energy Conversion" symposium, Spring Materials Research Society meeting (April 2014)