Journal Articles and Reviews

55. T. Zelovich, L. Kronik, and O. Hod, "The Driven Liouville von Neumann Approach for Time-Dependent Electronic Transport Calculations in a Non-Orthogonal Basis Set Representation", submitted (2016).

54. I. Leven, T. Maaravi, I. Azuri, L. Kronik, and O. Hod, "Inter-Layer Potential for Graphene/h-BN Heterostructures", submitted (2016).

53. I. Leven, R. Guerra, A. Vanossi, E. Tosatti, and O. Hod, "Multi-Walled Nanotube Faceting Unravelled", submitted (2016).

52. I. Oz, I. Leven, Y. Itkin, A. Buchwalter, K. Akulov, and O. Hod, "Nanotube Motion on Layered Materials: A Registry Perspective", J. Phys. Chem. C 120, 4466-4470 (2016). arXiv:1512.08612.

51.O. Hod, C. A. Rodríguez-Rosario, T. Zelovich, and T. Frauenheim , "The Driven Liouville von Neumann Equation in Lindblad Form", J. Phys. Chem. A, in press (2016). arXiv:1512.05862.

50.D. Krepel, J. E. Peralta, G. E. Scuseria, and O. Hod, "Graphene Nanoribbons-Based Ultrasensitive Chemical Detectors", J. Phys. Chem. C 120, 3791-3797 (2016).

49. E. Koren, I. Leven, E. Lörtscher, A. Knoll, O. Hod, and U. Duerig, "Electrical Transport Across a Twisted Graphene Interface", submitted (2015).

48. R. Pawlak, W. Ouyang, A. E. Filippov, L. Kalikhman-Razvozov, S. Kawai, T. Glatzel, E. Gnecco, A. Baratoff, Q. Zheng, O. Hod, M. Urbakh, and E. Meyer, "Single Molecule Tribology: Force Microscopy Manipulation of a Porphyrin Derivative on a Copper Surface", ACS Nano 10, 713-722 (2016).

47. T. Zelovich, L. Kronik, and O. Hod, "Molecule-Lead Coupling at Molecular Junctions: Relation Between the Real- and State-Space Perspectives", J. Chem. Theory Comput. 11, 4861-4869 (2015).

46.J. E. Peralta, O. Hod, and G. E. Scuseria, "Magnetization Dynamics From Time-Dependent Non-Collinear Spin Density Functional Theory Calculations", J. Chem. Theory Comput. 11, 3661-3668 (2015). See also Cover Page.

45.D. Krepel, L. Kalikhman-Razvozov, and O. Hod, "Edge Chemistry Effects on the Structural, Electronic, and Electric Response Properties of Boron Nitride Quantum Dots", J. Phys. Chem. C 118, 21110-21118 (2014). arXiv:1404.4264.

44. T. Zelovich, L. Kronik, and O. Hod, "State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions", J. Chem. Theory Comput. 10, 2927-2941 (2014). arXiv:1402.4906.

43. B. Feldman, T. Seideman, O. Hod, and L. Kronik, "Real-Space Method for Highly Parallelizable Electronic Transport Calculations", Phys. Rev. B 90, 035445 (2014). arXiv:1401.0782.

42. I. Leven, I. Azuri, L. Kronik, and O. Hod, "Inter-Layer Potential for Hexagonal Boron Nitride", J. Chem. Phys. 140, 104106 (2014). arXiv:1310.2718.

41.N. Brown and O. Hod, "Controlling the Electronic Properties of Nanodiamonds via Surface Chemical Functionalization: A DFT Study", J. Phys. Chem. C 118, 5530-5537 (2014). arXiv:1309.3906.

40.D. Krepel and O. Hod, "Effects of Edge Oxidation on the Structural, Electronic, and Magnetic Properties of Zigzag Boron Nitride Nanoribbons", J. Chem. Theory Comput. 10, 373-380 (2014). arXiv:1308.1894.

39.D. Krepel and O. Hod, "Lithium Mediated Benzene Adsorption on Graphene and Graphene Nanoribbons", J. Phys. Chem. C 117, 19477-19488 (2013). arXiv:1306.2300.

38.I. Azuri, L. Adler-Abramovich, E. Gazit, O. Hod, and L. Kronik, "Why are Diphenylalanine-Based Peptide Nanostructures so Rigid? Insights from First Principles Calculations", J. Am. Chem. Soc. 136, 963-969 (2014).

37.A. Hever, J. Bernstein, and O. Hod, "Fluorination Effects on the Structural Stability and Electronic Properties of sp3 Type Silicon Nanotubes", J. Phys. Chem. C 117, 14684-14691 (2013). arXiv:1305.1807.

36. O. Hod, "The Registry Index: A Quantitative Measure of Materials Interfacial Commensurability", ChemPhysChem 14, 2376-2391 (2013).

35.L. Kalikhman-Razvozov, R. Yusupov, and O. Hod, "Effects of Partial Hydrogenation on the Structure and Electronic Properties of Boron Nitride Nanotubes", J. Phys. Chem. C 117, 22224-22231 (2013). arXiv:1212.6231.

34.I. Leven, D. Krepel, O. Shemesh, and O. Hod, "Robust Superlubricity in Graphene/h-BN Heterojunctions", J. Phys. Chem. Lett. 4, 115-120 (2013). arXiv:1207.2588.

33.J. Garel, I. Leven, C. Zhi, K.S. Nagapriya, R. Popovitz-Biro, D. Golberg, Y. Bando, O. Hod, and Ernesto Joselevich, "Ultrahigh Torsional Stiffness and Strength of Boron Nitride Nanotubes", Nano Lett. 12, 6347-6352 (2012).

32.A. Hever, J. Bernstein, and O. Hod, "Structural Stability and Electronic Properties of sp3 Type Silicon Nanotubes", J. Chem. Phys. 137, 214702 (2012). arXiv:1206.1063.

31.A. Blumberg, U. Keshet, I. Zaltsman, and O. Hod, "Interlayer Registry to Determine the Sliding Potential of Layered Metal Dichalcogenides: The Case of 2H-MoS2", J. Phys. Chem. Lett. 3, 1936-1940 (2012). arXiv:1205.3794.

30.O. Hod, "Interlayer Commensurability and Superlubricity in Rigid Layered Materials", Phys. Rev. B 86, 075444 (2012). arXiv:1204.3749.

29. D. Rai, O. Hod, and A. Nitzan, "Magnetic Fields Effects on the Electronic Conduction Properties of Molecular Ring Structures ", Phys. Rev. B 85, 155440 (2012). arXiv:1109.0619.

28. O. Hod, "Graphite and Hexagonal Boron-Nitride have the Same Interlayer Distance. Why?", J. Chem. Theory Comput. 8, 1360-1369 (2012). arXiv:1109.3813

27. T. Aqua, H. Cohen, O. Sinai, V. Frydman, T. Bendikov, D. Krepel, O. Hod, L. Kronik, and R. Naaman, "Role of Backbone Charge Rearrangement in the Bond-Dipole and Work Function of Molecular Monolayers", J. Phys. Chem. C 115, 24888-24892 (2011).

26. N. Marom, A. Tkatchenko, M. Rossi, V. V. Gobre, O. Hod, M. Scheffler, and L. Kronik, "Dispersion Interactions with Density-Functional Theory: Benchmarking Semi-Empirical and Inter-Atomic Pair-Wise Corrected Density Functionals", J. Chem. Theory Comput. 7, 3944-3951 (2011).

25. D. Rai, O. Hod, and A. Nitzan, "Magnetic Field Control of the Current through Molecular Ring Junctions", J. Phys. Chem. Lett. 2, 2118-2124 (2011).

24. V. Barone, O. Hod, J. E. Peralta, and G. E. Scuseria, "Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional", Acc. Chem. Res. 44, 269-279 (2011).

23.D. Krepel and O. Hod, "Lithium Adsorption on Armchair Graphene Nanoribbons", Surf. Sci. 605, 1633-1642 (2011). (Invited article: special issue on "Graphene").

22. O. Hod, "Quantifying the Stacking Registry Matching in Layered Materials", Isr. J. Chem. 50, 506-514 (2010). arXiv:1009.5639. (Invited article: special issue on "Inorganic Nanotubes and Nanostructures").

21. D. Rai, O. Hod, and A. Nitzan, "Circular Currents in Molecular Wires", J. Phys. Chem. C 114, 20583-20594 (2010). arXiv:1006.1729.

20. N. Marom, J. Bernstein, J. Garel, A. Tkatchenko, E. Joselevich, L. Kronik, and O. Hod, "Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride", Phys. Rev. Lett. 105, 046801 (2010). arXiv:1002.1728 .

19.S. Hod and O. Hod, "Analytic Treatment of the Black-Hole Bomb", Phys. Rev. D (Rapid Communication) 81, 061502(R) (2010). arXiv:0910.0734.

18.O. Hod and G. E. Scuseria, "Electromechanical Properties of Suspended Graphene Nanoribbons", Nano Lett. 9, 2619-2622 (2009). arXiv:0905.0696.

17.O. Hod and G. E. Scuseria, "Half-Metallic Zigzag Carbon Nanotube Dots", ACS Nano 2, 2243-2249 (2008). See also the editorial note. arXiv:0806.4645.

16.O. Hod, R. Baer, and E. Rabani, "Magnetoresistance of Nanoscale Molecular Devices Based on Aharonov-Bohm Interferometry", J. Phys.: Cond. Mat. 20, 383201 (2008).

15. N. Marom, O. Hod, G. E. Scuseria, and L. Kronik, "Electronic Structure of Copper Phthalocyanine: a Comparative Density Functional Theory Study", J. Chem. Phys. 128, 164107 (2008). arXiv:0801.0733.

14.O. Hod, V. Barone, and G. E. Scuseria, "Half-Metallic Graphene Nanodots: A Comprehensive First-Principles Theoretical Study", Phys. Rev. B 77, 035411 (2008). arXiv:0709.0938.

13.G. Cohen, O. Hod, and E. Rabani, "Constructing Spin Interference Devices from Nanometric Rings", Phys. Rev. B 76, 235120 (2007).

12.O. Hod, V. Barone, J. E. Peralta, and G. E. Scuseria, "Enhanced Half-Metallicity in Edge-Oxidized Zigzag Graphene Nanoribbons", Nano Lett. 7, 2295-2299 (2007). arXiv:0704.2043.

11.O. Hod, J. E. Peralta, and G. E. Scuseria, "Edge Effects in Finite Elongated Graphene Nanoribbons", Phys. Rev. B 76, 233401 (2007). arXiv:0709.3134.

10.O. Hod, R. Baer, and E. Rabani, "Inelastic Effects in Aharonov-Bohm Molecular Interferometers", Phys. Rev. Lett. 97, 266803 (2006). cond-mat/0607686.

9.V. Barone, O. Hod, and G. E. Scuseria, "Electronic Structure and Stability of Semiconducting Graphene Nanoribbons", Nano Lett. 6, 2748-2754 (2006).
See also the interview by SCIENCEWATCH.

8.O. Hod, J. E. Peralta, and G. E. Scuseria, "First-Principles Electronic Transport Calculations in Finite Elongated Systems: A Divide and Conquer Approach", J. Chem. Phys. 125, 114704 (2006).

7.O. Hod, E. Rabani, and R. Baer, "Magneto-Resistance of Nanoscale Molecular Devices", Acc. Chem. Res. 39, 109-117 (2006).

6.O. Hod, R. Baer, and E. Rabani, "A Parallel Electromagnetic Molecular Logic Gate", J. Am. Chem. Soc. 127, 1648-1649 (2005).

5. C.G. Sztrum, O. Hod, and E. Rabani, "Self-Assembly of Nanoparticles in Three-Dimensions: Formation of Stalagmites", J. Phys. Chem. B 109, 6741-6747 (2005).

4.O. Hod, E. Rabani, and R. Baer, "Magnetoresistance Devices Based on Single Walled Carbon Nanotubes", J. Chem. Phys. 123, 051103 (2005). cond-mat/0406448.

3.O. Hod, R. Baer, and E. Rabani, "Feasible Nanometric Magnetoresistance Devices", J. Phys. Chem. B 108, 14807-14810 (2004). cond-mat/0406157.

2.O. Hod and E. Rabani, "A Coarse-Grained Model for a Nanometer Scale Molecular Pump", Proc. Natl. Acad. Sci. USA 100, 14661-14665 (2003).

1. O. Hod, E. Rabani, and R. Baer, "Carbon Nanotube Closed-Ring Structures", Phys. Rev. B 67, 195408 (2003).

Book Chapters

2. D. Krepel and O. Hod, "Physical Properties of Graphene Nanoribbons: Insights from First-Principles Studies" chapter 4 in "Graphene Chemistry: Theoretical Perspectives" (Ed. De-en Jiang and Zhongfang Chen) 51-77 (John Wiley & Sons, Inc., Chichester, UK, 2013).

1. V. Barone, O. Hod, and J. E. Peralta, "Modeling of Quasi-One-Dimensional Carbon Nanostructures with Density Functional Theory" in "Handbook of Computational Chemistry" (Ed. Jerzy Leszczynski), Vol 2: "Solid States and Nanomaterials" (Eds. Manthos G. Papadopoulos and Heribert Reis) 901-938 (Springer, 2012).