Category Archives: Uncategorized

Publications

25. N. Yatom and M. Caspary Toroker, topic: Fe2O3 catalysis, invited paper in preparation (2015).

24. J. Zaffran and M. Caspary Toroker, topic: oxide catalysis, invited paper in submitted (2015).

23. O. Neufeld and M. Caspary Toroker, topic: oxide interfaces, under revision (2015).

22. N. Yatom, O. Neufeld, and M. Caspary Toroker, topic: Fe2O3 catalysis, under revision (2015).

21. O. Neufeld, N. Yatom, and M. Caspary Toroker, topic: oxide interfaces, “Can we judge an oxide by its cover? The case of platinum over alpha-Fe2O3 from first principles”, Phys. Chem. Chem. Phys. 17, 24129 (2015). [Link]

20. M. Caspary Toroker and E. A. Carter, “Strategies to suppress cation vacancies in metal oxide alloys: consequences for solar energy conversion”, J. Mater. Sci. 50(17), 5715 (2015). [Link]

19. O. Neufeld and M. Caspary Toroker, “Pt-doped Fe2O3 for enhanced water splitting efficiency: a DFT+U study”, J. Phys. Chem. C 119, 5836 (2015). [Link]

18. M. Caspary Toroker, “Theoretical Insights into the Mechanism of Water Oxidation on Non-stoichiometric and Ti – doped Fe2O3(0001)”, J. Phys. Chem. C, 118, 23162 (2014)
[Link].

17. N. Alidoust, M. Caspary Toroker, and E. A. Carter, “Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion”, J. Phys. Chem. B, 118, 7963 (2014) [Link].

16. N. Alidoust, M. Caspary Toroker, J. A. Keith and E. A. Carter, “Significant reduction in NiO band gap upon formation of LixNi1-xO alloys: Applications to solar energy conversions“, ChemSusChem 7, 195 (2014). [Link]

15. M. Caspary Toroker and E. A. Carter, “Transition metal oxide alloys as potential solar energy conversion materials“, J. Mater. Chem. A 1, 2474 (2013).

14. M. Caspary Toroker and E. A. Carter, “Hole transport in non-stoichiometric and doped wustite“, J. Phys. Chem. C 116, 17403 (2012).

13. M. Caspary Toroker, D. K. Kanan, N. Alidoust, L. Y. Isseroff, P. Liao, E. A. Carter, “First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes“, Phys. Chem. Chem. Phys. 13, 16644 (2011).

12. P. Liao, M. Caspary Toroker, E. A. Carter, “Electron transport in pure and doped hematite“, Nano Lett. 11, 1775 (2011).

11. M. Caspary Toroker, U. Peskin, “Flux correlation approach to electron transport through molecular junctions“, Chem. Phys. 370, 124 (2010).

10. D. Davis, M. Caspary Toroker, S. Speiser, U. Peskin, “On the effect of nuclear bridge modes on Donor-Acceptor electronic coupling in donor-bridge-acceptor molecules”, Chem. Phys. 358, 45 (2009).

9. M. Caspary Toroker, U. Peskin. “On the relation between resonances and steady-state currents in molecular junctions”, J. Phys. B. 42, 044013 (2009).

8. R. Volkovich, M. Caspary Toroker, U. Peskin. “Site-Directed Electronic Tunneling in a Dissipative Molecular Environment”, J. Chem. Phys., 129, 034501 (2008).

7. D. Brisker, I. Cherkes, C. Gnodtke, D. Jarukanont, S. Klaiman, W. Koch, S. Vaisman, R. Volkovich, M. Caspary Toroker, U. Peskin. “Controlled Electronic Transport through Branched Molecular Conductors“, J. Molecular Physics, 106, 281 (2008).

6. M. Caspary Toroker, U. Peskin. “Electronic Transport through Molecular  Junctions with Non-Rigid Molecule-Leads Coupling”, J. Chem. Phys. 127, 154706 (2007).

5. M. Caspary, N. Moiseyev. “Simultaneous Propagation of Different Wavepackets Driven by Lasers”, Chem. Phys. Lett. 431, 169 (2006).

4. M. Caspary, U. Peskin. “Site-Directed Electronic Tunneling Through a Vibrating Molecular Network”, J. Chem. Phys. 125, 184703 (2006).

3. M. Caspary, U. Peskin. “Site-Directed Deep Electronic Tunneling Through a Molecular Networks”, J. Chem. Phys. 123, 151101 (2005).

2. M. Caspary, L. Berman, U. Peskin, “Thermal Resonant Tunneling Rates by a generalized Flux Averaging Method“, Isr. J. Chem. 42, 237 (2002).

1. M. Caspary, L. Berman, U. Peskin, “Thermal Rate Constants for Resonance-Supporting Reaction Barriers by the Flux Averaging Method“, Chem. Phys. Lett. 369, 232 (2003).

Google scholar citation:
http://scholar.google.co.il/citations?user=df9RTx8AAAAJ&hl=en]

People

Principle Investigator

Prof. Maytal Caspary Toroker

Prof. Maytal Caspary Toroker

Graduate Students

Natav Yatom
Natav Yatom

Ofer Neufeld

Ofer Neufeld

 Vicki Fidelsky

Vicki Fidelsky

Postdoctoral Fellows

Dr. Jérémie Zaffran
Dr. Jérémie Zaffran

Dr. Valeria Butera

Dr. Valeria Butera

 

Alumni Students

Mila Volkov

Mila Volkov

Undergraduate project 2013: Empirical pair-potentials

Asaf Haddad

Asaf Haddad

Undergraduate project 2014: Computational codes in materials science

Amir Kleiner

Amir Kleiner

Undergraduate project 2014: Perovskite materials