General Lab Information

Mark Hybertsen

Scientific Advisor and Senior Physicist, Retired, Theory and Computation, Center for Functional Nanomaterials

Mark Hybertsen

Brookhaven National Laboratory

Center for Functional Nanomaterials
Bldg. 735
P.O. Box 5000
Upton, NY 11973-5000

As a group, we seek to develop new theoretical, computational and data analytics methods as well as to engage in research directed to understand specific phenomena in nano materials across the scope of CFN strategic directions.

Expertise | Education | Appointments | Publications | Awards

Expertise

Electronic structure theory and many-body perturbation theory

Microscopic modeling of structure-property relationships in diverse nano materials such as 2D materials and nanoscale junctions

Education

Ph.D., Physics, University of California, Berkeley

B.A., Physics, Reed College, Portland, Oregon

Professional Appointments

Current: Senior Physicist and Group Leader, Center for Functional Nanomaterials, Brookhaven National Laboratory

Previous appointments at Columbia University and Bell Laboratories

Selected Publications

  • Liu M, Hybertsen MS, Wu Q (2020) A Physical Model for Understanding the Activation of MoS 2 Basal-Plane Sulfur Atoms for the Hydrogen Evolution Reaction. Angewandte Chemie International Edition 59:14835–14841. doi: 10.1002/anie.202003091
  • Yan D, Topsakal M, Selcuk S, Lyons JL, Zhang W, Wu Q, Waluyo I, Stavitski E, Attenkofer K, Yoo S, Hybertsen MS, Lu D, Stacchiola DJ, Liu M (2019) Ultrathin Amorphous Titania on Nanowires: Optimization of Conformal Growth and Elucidation of Atomic-Scale Motifs. Nano Letters 19:3457–3463. doi: 10.1021/acs.nanolett.8b04888
  • Lininger CN, Cama CA, Takeuchi KJ, Marschilok AC, Takeuchi ES, West AC, Hybertsen MS (2018) Energetics of Lithium Insertion into Magnetite, Defective Magnetite, and Maghemite. Chemistry of Materials 30:7922–7937. doi: 10.1021/acs.chemmater.8b03544
  • Kim HY, Hybertsen MS, Liu P (2016) Controlled Growth of Ceria Nanoarrays on Anatase Titania Powder: A Bottom-up Physical Picture. Nano Letters 17:348–354. doi: 10.1021/acs.nanolett.6b04218
  • Hybertsen MS, Venkataraman L (2016) Structure–Property Relationships in Atomic-Scale Junctions: Histograms and Beyond. Accounts of Chemical Research 49:452–460. doi: 10.1021/acs.accounts.6b00004
  • Kharche N, Muckerman JT, Hybertsen MS (2014) First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces. Physical Review Letters. doi: 10.1103/physrevlett.113.176802
  • Prezzi D, Eom D, Rim KT, Zhou H, Lefenfeld M, Xiao S, Nuckolls C, Heinz TF, Flynn GW, Hybertsen MS (2014) Edge Structures for Nanoscale Graphene Islands on Co(0001) Surfaces. ACS Nano 8:5765–5773. doi: 10.1021/nn500583a
  • Berkelbach TC, Hybertsen MS, Reichman DR (2013) Theory of neutral and charged excitons in monolayer transition metal dichalcogenides. Physical Review B. doi: 10.1103/physrevb.88.045318
  • Vazquez H, Skouta R, Schneebeli S, Kamenetska M, Breslow R, Venkataraman L, Hybertsen MS (2012) Probing the conductance superposition law in single-molecule circuits with parallel paths. Nature Nanotechnology 7:663–667. doi: 10.1038/nnano.2012.147
  • Kang W, Hybertsen MS (2010) Quasiparticle and optical properties of rutile and anataseTiO2. Physical Review B. doi: 10.1103/physrevb.82.085203
  • Kamenetska M, Koentopp M, Whalley AC, Park YS, Steigerwald ML, Nuckolls C, Hybertsen MS, Venkataraman L (2009) Formation and Evolution of Single-Molecule Junctions. Physical Review Letters. doi: 10.1103/physrevlett.102.126803
  • Neaton JB, Hybertsen MS, Louie SG (2006) Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces. Physical Review Letters. doi: 10.1103/physrevlett.97.216405

Awards & Recognition

Fellow, American Physical Society

Mark Hybertsen

Brookhaven National Laboratory

Center for Functional Nanomaterials
Bldg. 735
P.O. Box 5000
Upton, NY 11973-5000

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