English
פרופסור חבר

פרופ' אליהו גרינברג

פרופסור חבר
טלפון
03-7384345
דוא"ל
ilya.grinberg@biu.ac.il
משרד
בנין 206, חדר A601. טל' במעבדה: 03-5318634
תחומי מחקר
קורות חיים

Education

•University of Pennsylvania Graduation Date: July 2002
Ph. D. in Physical Chemistry. Doctoral advisor : Andrew M. Rappe
• Columbia University May 1996 B. A. in Chemistry.
Work •Chemistry Department, Bar-Ilan University 2015–
Experience Associate Professor
• Rappe Group, University of Pennsylvania 2003 - 2015
Research Specialist
Supervised and mentored several post-docs and graduate students in research on bulk and
thin-film complex oxides, design of new solar energy materials and in the studies of adsorption
on metal and oxide surfaces, using first-principles and atomistic computational
methods. Set new research directions and developed new computational methods. Led
the development of new force fields for atomistic simulations and their applications in
studies of complex oxide dynamics. Managed collaborations with experimental research
groups. Took a lead role in writing the group’s funding ( $4 million) and computer time
grant proposals.
• Rappe Group, University of Pennsylvania August 2002 - July 2003
Post Doctoral Researcher
Carried out ab initio investigations on a variety of ferroelectric perovskite compounds.
Supervised two graduate students in research on second-principles modeling of complex
oxides and on CO adsorption on transition metal surfaces. Contributed key sections to
several funding and computer time grant proposals.
• GEC-Marconi November 1996 - August 1997
Software Engineer
Designed testing procedures for military telecommunications equipment.
Teaching •Chemistry Department, University of Pennsylvania September 1997 - May 1999
Experience Teaching Assistant
Taught General Chemistry and Physical Chemistry Lab and recitation for the General and
Honors Introductory Chemistry courses.
Research Chemical control of physical properties, structure-property relations in ferroelectric and
Interests piezoelectric oxides, design of new photovoltaic materials, development of atomistic potentials,
multiscale modeling of dielectric response and domain dynamics in oxides.

מחקר

Research Interests

Chemical control of physical properties, structure-property relations in ferroelectric and
piezoelectric oxides, design of new photovoltaic materials, development of atomistic potentials,
multiscale modeling of dielectric response and domain dynamics in oxides.

פרסומים

Refereed Publications

  1. Grinberg, N. J. Ramer and A. M. Rappe, Transferable Relativistic Dirac-Slater Pseudopotentials, Physical Review B 62, 2311 (2000).
  2. Grinberg, N. J. Ramer and A. M. Rappe, Transferable Relativistic Dirac-Slater Pseudopotentials, Physical Review B 62, 2311 (2000).
  3. I. Grinberg, Y. Yourdshahyan and A. M. Rappe, CO/Pt(111) Puzzle: A Possible Solution, Journal of Chemical Physics                                                            
  4. I. Grinberg, V. R. Cooper and A. M. Rappe, Relationship between local structure and phase transitions of a disordered solid solution, Nature 419, 909 (2002).     
  5. S. E. Mason, I. Grinberg and A. M. Rappe, First-principles extrapolation method for accurate CO adsorption energies on metal surfaces, Physical Review B 69, 161401(R) (2004).
  6. I. Grinberg, V. R. Cooper and A. M. Rappe, Oxide chemistry and local structure of PbZr1−xTixO3 studied by DFT supercell calculations, Physical Review B 69, 144118 (2004).
  7. P. Juhas, I. Grinberg, A. M. Rappe, W. Dmowski, T. Egami and P. K. Davies, Correlations between the structure and dielectric properties of Pb(Sc2/3W1/3)O3-Pb(Ti/Zr)O3 relaxors, Physical Review B 69, 214101 (2004).                             
  8. I. Grinberg and A. M. Rappe, Silver solid solution piezoelectrics, Applied Physics Letters 85, 1760  (2004).
  9. I. Grinberg and A. M. Rappe, Local structure and macroscopic properties in PbMg1/3Nb2/3 O3-PbTiO3 and PbZn1/3Nb2/3O3-PbTiO3 solid solutions, Physical Review B 70, 220101(R) (2004).
  10.  Y.-H. Shin, V. R. Cooper, I. Grinberg and A. M. Rappe, Development of a bond-valence molecular-dynamics model for complex oxides, Physical Review B 71, 054104 (2005)
  11. I. Grinberg, M. R. Suchomel, P. K. Davies and A. M. Rappe, Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations, Journal of Applied Physics 98, 094111 (2005).
  12. D. D. Fong, A. M. Kolpak, J. A. Eastman, S. K. Streiffer, P. H. Fuoss, G. B. Stephenson, C. Thompson, D. M. Kim, K. J. Choi, C. B. Eom, I. Grinberg and A. M. Rappe, Stabilization of monodomain polarization in ultrathin PbTiO3 films, Physical Review Letters 96, 127601 (2006)
  13. S. E. Mason, I. Grinberg and A. M. Rappe, Adsorbate-adsorbate interactions and chemisorption at different coverages studied by accurate ab initio calculations, Journal of Physical Chemistry B 110, 3816 (2006)
  14.  J. E. Spanier, A. M. Kolpak, J. J. Urban, I. Grinberg, O. Y. Lian, W. S. Yun, A. M. Rappe and H. Park, Ferroelectric phase transition in individual single-crystalline BaTiO3 nanowires, Nano Letters 6, 735 (2006).
  15. J. W. Bennett, I. Grinberg and A. M. Rappe, Effect of symmetry lowering on the dielectric response of BaZrO3, Physical Review B 73, 180102 (2006).
  16. I. Grinberg and A. M. Rappe, Nonmonotonic Tc trends in Bi-based ferroelectric perovskite solid solutions, Physical Review Letters 98, 037603 (2007)
  17.  I. Grinberg, M. R. Suchomel, W. Dmowski, S. E. Mason, W. Hui, P. K. Davies and A. M. Rappe, Structure and polarization in the high Tc ferroelectric Bi(Zn,Ti)O3-PbTiO3 solid solutions, Physical Review Letters 98, 107601 (2007).
  18. A. M. Kolpak, I. Grinberg and A. M. Rappe, Polarization effects on the surface chemistry of PbTiO3-supported Pt films, Physical Review Letters 98, 166101 (2007).
  19. I. Grinberg and A. M. Rappe, First principles calculations, crystal chemistry and properties of ferroelectric perovskites, Phase Transitions 80, 351 (2007).
  20. Y.-H. Shin, I. Grinberg, I-W. Chen and A. M. Rappe, Nucleation and growth mechanism of ferroelectric domain wall motion, Nature 449, 881 (2007).
  21. I. Grinberg, P. Juhas, P. K. Davies and A. M. Rappe, Relationship between local structure and relaxor behavior in perovskite oxides, Physical Review Letters 99, 267603 (2007).
  22. S. E. Mason, I. Grinberg and A. M. Rappe, Orbital-specific analysis of CO chemisorption, Journal of Physical Chemistry C 122, 1963 (2008).                   
  23. Y.-H. Shin, J.-Y. Son, B.-J. Lee, I. Grinberg and A. M. Rappe Order-disorder character of PbTiO3, Journal of Physics–Condensed Matter 20, 015224 (2008).    
  24.  J. W. Bennett, I. Grinberg and A. M. Rape, Nonmonotonic Composition Dependence of the Dielectric Response of Ba1−xCaxZrO3, Chemistry of Materials 20, 5134 (2008).
  25. J. W. Bennett, I. Grinberg and A. M. Rappe, New Highly Polar Semiconductor Ferroelectrics through d8 Cation-O Vacancy Substitution into PbTiO3: A Theoretical Study, Journal of the American Chemical Society 130, 17409 (2008).
  26. T. T. Qi, I. Grinberg and A. M. Rappe, First-principles investigation of the highly tetragonal ferroelectric material Bi(Zn1/2Ti1/2)O3, Physical Review B 79, 094114 (2009).
  27. J. W. Bennett, I. Grinberg and A. M. Rappe, Effect of substituting of S for O: The sulfide perovskite BaZrS3 investigated with density functional theory , Physical Review B 79, 235115 (2009).
  28. I. Grinberg, Y.-H. Shin and A. M. Rappe, Molecular Dynamics Study of Dielectric Response in a Relaxor Ferroelectric, Physical Review Letters 103, 197601 (2009).
  29. V. R. Aravind, A. N. Morozovska, S. Bhattacharyya, D. Lee, S. Jesse, I. Grinberg, Y. L. Li, S. Choudhury, P. Wu, K. Seal, A. M. Rappe, S. V. Svechnikov, E. R. Eliseev, S. R. Phillpot, L. Q. Chen, V. Gopalan and S. V. Kalinin, Correlated polarization switching in the proximity of a 180 degrees domain wall, Physical Review B 82, 024111 (2010).
  30. T. T. Qi, I. Grinberg and A. M. Rappe, Correlations between tetragonality, polarization, and ionic displacement in PbTiO3-derived ferroelectric perovskite solid solutions, Physical Review B 82, 134113 (2010).
  31. J. W. Bennett, I. Grinberg, P. K. Davies and A. M. Rappe, Pb-free semiconduc- tor ferroelectrics: A theoretical study of Pd-substituted Ba(Ti1-xCex)O3 solid solutions, Physical Review B 82, 184106 (2010).
  32. J. W. Bennett, I. Grinberg, P. K. Davies and A. M. Rappe Pb-free ferroelectrics investigated with density functional theory: SnAl1/2Nb1/2O3 perovskites, Physical Review B 83, 144122 (2011).
  33. T. T. Qi, I. Grinberg and A. M. Rappe, Band-gap engineering via local environment in complex oxides, Physical Review B 83, 224108 (2011).             
  34. D. M. Stein, I. Grinberg, A. M. Rape and P. K. Davies, Multiple dielectric transitions in the PbTiO3-Bi(Zn1/2Ti1/2)O3-Bi(Mg1/2Ti1/2)O3 system, Journal of Applied Physics 110, 074110 (2011).
  35. G. G. Gou, I. Grinberg, J. M. Rondinelli and A. M. Rappe, Lattice normal modes and electronic properties of the correlated metal LaNiO3, Physical Review B 84, 144101 (2011).
  36. T. T. Qi, M. T. Curnan, S. Kim, I. Grinberg and A. M. Rappe, First-principles study of band gap engineering via oxygen vacancy doping in perovskite ABB’O3 solid solutions, Physical Review B 84, 245206 (2011).
  37. M. A. Mendez-Polanco, I. Grinberg, A. M. Kolpak, C. Pynn, S. V. Levchenko and A. M. Rappe, Stabilization of highly polarized PbTiO3 nanoscale capacitors due to in-plane symmetry breaking at the interface, Physical Review B 85, 214107 (2012).
  38. S. Liu, I. Grinberg and A. M. Rappe, Development of a bond-valence based inter- atomic potential for BiFeO3 for accurate molecular dynamics simulations, J. Phys.-Cond. Matt. 25, 102202 (2013).
  39. H. Takenaka, I. Grinberg and A. M. Rape, Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric, Physical Review Letters 110, 147602 (2013).
  40. S. Liu, I. Grinberg, H. Takenaka and A. M. Rappe, Reinterpretation of the bond- valence model with bond-order formalism: An improved bond-valence-based interatomic potential for PbTiO3, Physical Review B 88, 104102 (2013).
  41. I. Grinberg, D. M. West, M. Torres, G. Y. Gou, D. M. Stein, L. Y. Wu, G. N. Chen, E. M. Gallo, A. R. Akbashev, P. K. Davies, J. E. Spanier and A. M. Rappe, Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials, Nature 503, 509–512 (2013).
  42. S. Liu, I. Grinberg and A. M. Rappe, Exploration of the intrinsic inertial response of ferroelectric domain walls via molecular dynamics simulations, Applied Physics Letters 103, 232907 (2013).
  43. J. Shi, I. Grinberg, X. Wang and A. M. Rappe, Atomic sublattice decomposition of piezoelectric response in tetragonal PbTiO3, BaTiO3 and KNbO3, Physical Revew B 89, 094105 (2014).
  44. F. G. Wang, I. Grinberg and A. M. Rappe, Band gap engineering strategy via polarization rotation in perovskite ferroelectrics, Applied Physics Letters 104, 152903 (2014).
  45. J. A. Brehm, H. Takenaka, C. W. Lee, I. Grinberg, J. W. Bennett, M. R. Schoenberg and A. M. Rappe, Density functional theory study of hypothetical PbTiO3-based oxysulfides, Physical Review B 89, 195202 (2014).                          
  46. F. G. Wang, I. Grinberg and A. M. Rappe, Semiconducting ferroelectric photo- voltaics through Zn2+ doping into KNbO3 and polarization rotation, Physical Review B 89, 235105 (2014).
  47. L. Jiang, I. Grinberg, F. G. Wang, S. M. Young, P. K. Davies and A. M. Rappe, Semiconducting ferroelectric perovskites with intermediate bands via B-site Bi5+ doping, Physical Review B 90, 075153 (2014).
  48. J. A. Brehm, J. W. Bennett, M. R. Schoenberg, I. Grinberg and A. M. Rappe, The structural diversity of ABS3 compounds with d0 electronic configuration for the B-cation, Journal of Chemical Physics 140, 224703 (2014).
  49. R. Xu, S. Liu, I. Grinberg, J. Karthik, A. R. Damodaran, A. M. Rappe and L. W. Martin, Ferroelectric polarization reversal via successive ferroelastic transitions, Nature Materials 14, 79 (2015).
  50. F. Chen, J. Goodfellow, S. Liu, I. Grinberg, M. C. Hoffmann, A. R. Damodaran, Y. Zhu, P. Zalden, X. Zhang, I. Takeuchi, A. M. Rappe, L. W. Martin, H. Wen and A. M. Lindenberg, Ultra-fast Terahertz Gating of the Polarization and Giant Nonlinear Optical Response in BiFeO3 Thin Films, Advanced Materials (accepted).
  51. F. Wang, S. M. Young, F. Zheng, I. Grinberg and A. M. Rappe, Bulk photovoltaic effect enhancement via electrostatic control in layered ferroelectrics, Nature Communications (under review).
פטנטים

Patents

1) Andrew M. Rappe, Alexie M. Kolpak, Ilya Grinberg, “Tunable ferroelectric supported catalysts and method and uses thereof”  USA Patent filed 2007, issued 2013.

2) Andrew M. Rappe, Peter K. Davies, Jonathan E. Spanier, Ilya Grinberg, Don Vincent West “Semiconductor ferroelectric compositions and their use in photovoltaic devices”, USA provisional patent 2012.

תאריך עדכון אחרון : 19/04/2023