Journal Articles and Reviews

65. O. Hod, M. Urbakh, D. Naveh, M. Bar-Sadan, and A. Ismach, "Flatlands in the Holy Land: The Evolution of Layered Materials Research in Israel", Adv. Mater., in press (2018).

64. I. Azuri, A. Hirsch, A. M. Reilly, A. Tkatchenko, S. Kendler, O. Hod, and L. Kronik, "TeraHertz Spectroscopy of 2,4,6-trinitrotoluene Molecular Solids from First Principles", Beilstein J. Org. Chem. 14, 381-388 (2018).

63. Y. Song, D. Mandelli, O. Hod, M. Urbakh, M. Ma, and Q. Zheng, "Robust Microscale Superlubricity in Single Crystalline Layered Material Heterojunctions: The Case of Graphite/h-BN Interfaces", submitted (2017).

62. T. Maaravi, I. Leven, I. Azuri, L. Kronik, and O. Hod, "Interlayer Potential for Homogeneous Graphene and Hexagonal Boron Nitride Systems: Reparameterization for Many-Body Dispersion Effects", J. Phys. Chem. C 121, 22826-22835 (2017).

61. L. Adler-Abramovich, Z. Arnon, X.-M. Sui, I. Azuri, H. Cohen, O. Hod, L. Kronik, L. J. W. Shimon, H. D. Wagner, and E. Gazit, "Bioinspired Flexible and Tough Layered Peptide Crystals", Adv. Mater. 30, 1704551 (2018).

60. O. Hod, E. Meyer, M. Urbakh, Q. Zheng, "Structural Superlubricity: Frictionless Motion Across the Length-Scales", submitted (2017).

59. R. Guerra, I. Leven, A. Vanossi, O. Hod, and E. Tosatti, "Smallest Archimedean Screw: Facet Dynamics and Friction in Multi-Walled Nanotubes", Nano Lett. 17, 5321 (2017).

58. D. Mandelli, I. Leven, O. Hod, and M. Urbakh, "Sliding Friction of Graphene/Hexagonal-Boron Nitride Heterojunctions: A Route to Robust Superlubricity", Sci. Rep. 7, 10851 (2017).

57. T. Zelovich, T. Hansen, Z.-F. Liu, J. B. Neaton, L. Kronik, and O. Hod, "Parameter Free Driven Liouville-von Neumann Approach for Time-Dependent Electronic Transport Simulations in Open Quantum Systems", J. Chem. Phys. 146, 092331 (2017).

56. D. Krepel and O. Hod, "Selectivity of a Graphene Nanoribbon-Based Trinitrotoluene Detector: A Computational Assessment", J. Phys. Chem. C 121, 21546-21552 (2017).

55. T. Zelovich, L. Kronik, and O. Hod, "Driven Liouville von Neumann Approach for Time-Dependent Electronic Transport Calculations in a Nonorthogonal Basis-Set Representation", J. Phys. Chem. C 120, 15052-15062 (2016).

54. I. Leven, T. Maaravi, I. Azuri, L. Kronik, and O. Hod, "Inter-Layer Potential for Graphene/h-BN Heterostructures", J. Chem. Theory Comput. 12, 2896-2905 (2016).

53. I. Leven, R. Guerra, A. Vanossi, E. Tosatti, and O. Hod, "Multiwalled Nanotube Faceting Unravelled", Nat. Nanotechnol. 11, 1082-1086 (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 , "Driven Liouville von Neumann Equation in Lindblad Form", J. Phys. Chem. A 120, 3278-3285 (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, "Coherent Commensurate Electronic States at the Interface Between Misoriented Graphene Layers", Nat. Nanotechnol. 11, 752-757 (2016).

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

3. O. Hod, "Interlayer Interactions in Low-Dimensional Layered Hetero-Structures: Modeling and Applications" in "Handbook of Materials Modeling. Volume 2 Applications: Current and Emerging Materials" (Editors-in-chief Wanda Andreoni and Sidney Yip), Section 4: "Emergent Systems with Limited Dimensionality" (section Editor James R. Chelikowsky), Submitted (Springer, 2018).

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).