Mark Hybertsen

Theory & Computation Group Leader

Mark Hybertsen holds a BA (Reed College, 1980) and a PhD (University of California at Berkeley, 1986) in physics. He worked at AT&T Bell Laboratories (and subsequently Lucent Technologies and Agere Systems) for sixteen years, pursuing a variety of research projects in the theory of the electronic properties of materials and optoelectronic device physics, as well as supervising the the Device and Materials Physics Group in the Semiconductor Photonics Research Department for four years. From 2003 to 2006 he was a senior research scientist at Columbia University conducting research directed to understand the electronic properties of nanoscale junctions. In 2006, he joined the staff of the CFN. He is a fellow of the American Physical Society.

Mailing Address:
Brookhaven National Laboratory
Center for Functional Nanomaterials
Bldg 735
Upton, NY 11973-5000

Professional Activities:

• Society membership: American Physical Society, IEEE, American Chemical Society Member and currently chair: External Advisory Board, NSF Network for Computational Nanotechnology (Purdue University).
• Member, Proposal Evaluation Board, Center for Nanoscale Materials (CNM), Argonne National Laboratory (2006-present).
• Panel Member, NSF Workshop, Building Electronic Function into Nanoscale Molecular Architectures, Ballston, VA, June 7-8, 2007.
• Panel Member, DOE Workshop, Computational Research Needs in Alternative & Renewable Energy, Renewable Electricity Solar Energy panel, Rockville, MD, Sept. 19-20, 2007.

Education:

• Ph.D. 1986: Physics, University of California, Berkeley
• B.A. 1980: Physics, Reed College

Publications:

[1]        J. R. Quinn, F. W. Foss, L. Venkataraman, M. S. Hybertsen, and R. Breslow, "Single-molecule junction conductance through diaminoacenes," Journal of the American Chemical Society 129, 6714 (2007).

[2]        S. Y. Quek, L. Venkataraman, H. J. Choi, S. G. Louie, M. S. Hybertsen, and J. B. Neaton, "Amine-Gold Linked Single-Molecule Circuits: Experiment and Theory," Nano Lett. 7, 3477 (2007).

[3]        Y.-R. Chen, L. Zhang, and M. S. Hybertsen, "Theoretical study of trends in conductance for molecular junctions formed with armchair carbon nanotube electrodes," Physical Review B (Condensed Matter and Materials Physics) 76, 115408 (2007).

[4]        E. Stolyarova, K. T. Rim, S. M. Ryu, J. Maultzsch, P. Kim, L. E. Brus, T. F. Heinz, M. S. Hybertsen, and G. W. Flynn, "High-resolution scanning tunneling microscopy imaging of mesoscopic graphene sheets on an insulating surface," Proceedings of the National Academy of Sciences of the United States of America 104, 9209 (2007).

[5]        K. T. Rim, M. Siaj, S. X. Xiao, M. Myers, V. D. Carpentier, L. Liu, C. C. Su, M. L. Steigerwald, M. S. Hybertsen, P. H. McBreen, G. W. Flynn, and C. Nuckolls, "Forming aromatic hemispheres on transition-metal surfaces," Angewandte Chemie-International Edition 46, 7891 (2007).

[6]        Y. S. Park, A. C. Whalley, M. Kamenetska, M. L. Steigerwald, M. S. Hybertsen, C. Nuckolls, and L. Venkataraman, "Contact Chemistry and Single-Molecule Conductance: A Comparison of Phosphines, Methyl Sulfides, and Amines," J. Am. Chem. Soc. 129, 15768 (2007).

[7]        X. Wang, C. D. Spataru, M. S. Hybertsen, and A. J. Millis, "Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model," Physical Review B (Condensed Matter and Materials Physics) 77, 045119 (2008).

[8]        Y. Gilman, P. B. Allen, and M. S. Hybertsen, "Density-Functional Study of Adsorption of Isocyanides on a Gold (111) Surface," J. Phys. Chem. C 112, 3314 (2008).

[9]        L. Liu, S. Ryu, M. R. Tomasik, E. Stolyarova, N. Jung, M. S. Hybertsen, M. L. Steigerwald, L. E. Brus, and G. W. Flynn, "Graphene Oxidation: Thickness-Dependent Etching and Strong Chemical Doping," Nano Lett. 8, 1965 (2008).

[10]      M. S. Hybertsen, L. Venkataraman, J. E. Klare, A. C. Whalley, M. L. Steigerwald, and C. Nuckolls, "Amine-linked single-molecule circuits: systematic trends across molecular families," Journal of Physics-Condensed Matter 20, 374115 (2008).

[11]      B. Ilan, G. M. Florio, M. S. Hybertsen, B. J. Berne, and G. W. Flynn, "Scanning Tunneling Microscopy Images of Alkane Derivatives on Graphite: Role of Electronic Effects," Nano Letters 8, 3160 (2008).

[12]      X. Shen, P. B. Allen, M. S. Hybertsen, and J. T. Muckerman, "Water Adsorption on the GaN (1010) Nonpolar Surface," The Journal of Physical Chemistry C 113, 3365 (2009).

[13]      B. Ilan, G. M. Florio, T. L. Werblowsky, T. Müller, M. S. Hybertsen, B. J. Berne, and G. W. Flynn, "Solvent Effects on the Self-Assembly of 1-Bromoeicosane on Graphite. Part II. Theory," The Journal of Physical Chemistry C 113, 3641 (2009).

[14]      E. Stolyarova, D. Stolyarov, K. Bolotin, S. Ryu, L. Liu, K. T. Rim, M. Klima, M. Hybertsen, I. Pogorelsky, I. Pavlishin, K. Kusche, J. Hone, P. Kim, H. L. Stormer, V. Yakimenko, and G. Flynn, "Observation of Graphene Bubbles and Effective Mass Transport under Graphene Films," Nano Letters 9, 332 (2009).

[15]      S. Y. Quek, M. Kamenetska, M. L. Steigerwald, H. J. Choi, S. G. Louie, M. S. Hybertsen, J. B. Neaton, and L. Venkataraman, "Mechanically controlled binary conductance switching of a single-molecule junction," Nat Nano 4, 230 (2009).

[16]      C. D. Spataru, M. S. Hybertsen, S. G. Louie, and A. J. Millis, "GW approach to Anderson model out of equilibrium: Coulomb blockade and false hysteresis in the I-V characteristics," Physical Review B (Condensed Matter and Materials Physics) 79, 155110 (2009).

[17]      D. Eom, D. Prezzi, K. T. Rim, H. Zhou, M. Lefenfeld, S. Xiao, C. Nuckolls, M. S. Hybertsen, T. F. Heinz, and G. W. Flynn, "Structure and Electronic Properties of Graphene Nanoislands on Co(0001)," Nano Letters 9, 2844 (2009).

[18]      P. Sutter, M. S. Hybertsen, J. T. Sadowski, and E. Sutter, "Electronic Structure of Few-Layer Epitaxial Graphene on Ru(0001)," Nano Letters 9, 2654 (2009).

[19]      Y. S. Park, J. R. Widawsky, M. Kamenetska, M. L. Steigerwald, M. S. Hybertsen, C. Nuckolls, and L. Venkataraman, "Frustrated Rotations in Single-Molecule Junctions," Journal of the American Chemical Society 131, 10820 (2009).

[20]      J. R. Widawsky, M. Kamenetska, J. Klare, C. Nuckolls, M. L. Steigerwald, M. S. Hybertsen, and L. Venkataraman, "Measurement of voltage-dependent electronic transport across amine-linked single-molecular-wire junctions," Nanotechnology 20, 434009 (2009).

[21]      M. Kamenetska, M. Koentopp, A. C. Whalley, Y. S. Park, M. L. Steigerwald, C. Nuckolls, M. S. Hybertsen, and L. Venkataraman, "Formation and Evolution of Single-Molecule Junctions," Physical Review Letters 102, 126803 (2009).

[22]      W. Kang, and M. S. Hybertsen, "Quasiparticle and optical properties of rutile and anatase TiO2," Physical Review B 82, 085203 (2010).

[23]      M. Kamenetska, S. Y. Quek, A. C. Whalley, M. L. Steigerwald, H. J. Choi, S. G. Louie, C. Nuckolls, M. S. Hybertsen, J. B. Neaton, and L. Venkataraman, "Conductance and Geometry of Pyridine-Linked Single-Molecule Junctions," Journal of the American Chemical Society 132, 6817 (2010).

[24]      R. Parameswaran, J. R. Widawsky, H. VaÌ�zquez, Y. S. Park, B. M. Boardman, C. Nuckolls, M. L. Steigerwald, M. S. Hybertsen, and L. Venkataraman, "Reliable Formation of Single Molecule Junctions with Air-Stable Diphenylphosphine Linkers," The Journal of Physical Chemistry Letters 1, 2114 (2010).

[25]      X. Shen, Y. A. Small, J. Wang, P. B. Allen, M. V. Fernandez-Serra, M. S. Hybertsen, and J. T. Muckerman, "Photocatalytic Water Oxidation at the GaN (101Ì…0)−Water Interface," The Journal of Physical Chemistry C 114, 13695 (2010).

[26]      S. Schneebeli, M. Kamenetska, F. Foss, H. Vazquez, R. Skouta, M. Hybertsen, L. Venkataraman, and R. Breslow, "The Electrical Properties of Biphenylenes," Organic Letters 12, 4114 (2010).

[27]      W. Kang, and M. S. Hybertsen, "Enhanced static approximation to the electron self-energy operator for efficient calculation of quasiparticle energies," Physical Review B 82, 195108 (2010).

[28]      L. Li, J. T. Muckerman, M. S. Hybertsen, and P. B. Allen, "Phase diagram, structure, and electronic properties of (Ga_{1-x}Zn_{x})(N_{1-x}O_{x}) solid solutions from DFT-based simulations," Physical Review B 83, 134202 (2011).

[29]      M. Frei, S. V. Aradhya, M. Koentopp, M. S. Hybertsen, and L. Venkataraman, "Mechanics and Chemistry: Single Molecule Bond Rupture Forces Correlate with Molecular Backbone Structure," Nano Letters 11, 1518 (2011).

[30]      Z. L. Cheng, R. Skouta, H. Vazquez, J. R. Widawsky, S. Schneebeli, W. Chen, M. S. Hybertsen, R. Breslow, and L. Venkataraman, "In situ formation of highly conducting covalent Au-C contacts for single-molecule junctions," Nat Nano 6, 353 (2011).

[31]      L. Zhao, R. He, K. T. Rim, T. Schiros, K. S. Kim, H. Zhou, C. Gutiérrez, S. P. Chockalingam, C. J. Arguello, L. Pálová, D. Nordlund, M. S. Hybertsen, D. R. Reichman, T. F. Heinz, P. Kim, A. Pinczuk, G. W. Flynn, and A. N. Pasupathy, "Visualizing Individual Nitrogen Dopants in Monolayer Graphene," Science 333, 999 (2011).

Last Modified: April 16, 2013
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