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Chemical, Biological & Materials EngineeringOU homepageChemical, Biological and Materials Engineering

Bin Wang

Bin Wang

Assistant Professor

Ph.D. in Chemistry (2010)
Laboratoire de chimie, École Normale Supérieure (ENS) de Lyon, France
supported by the Marie Curie EST Fellowship
Visiting Student, 10/2007-06/2008
Dept. Chemistry, Ludwig Maximilians University (LMU) Munich, Germany
B.A. Chemical engineering (2004)
East China University of Science & Technology, Shanghai, China

Experience and Awards
Postdoctoral research associate, 05/2010-08/2014
Dept. Physics and Astronomy, Vanderbilt University, Nashville, TN
Marie Curie Fellowship (2007-2009) for Early Stage Research Training through an EU project - Molecular Networks at Phase Boundaries (MONET)
ACSIN Young Scientist prize for the best student paper, 09/2009
10th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN10), Granada, Spain

(405) 325-5716

F: (405) 325-5813

Group website:

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Our research is focused on computational simulations of materials chemistry, physics and engineering with an emphasis on nanoscale materials, using density functional theory (DFT) calculations and molecular dynamics simulations. In particular, we are interested in advanced energy materials and their applications in catalysis, molecular sensors, energy storage and conversion, and electronic devices. The research goal is to understand these chemical and physical processes at the atomic scale, through which we may explain complicated experimental findings, improve and tailor materials’ properties, and make predictions of new materials with interesting functionality.

During the last a few years, we have been working on several interesting projects, including two-dimensional materials (graphene, boron nitride, transition metal dichalcogenides), phase-change materials (VO2), lithium ion batteries, fuel cells, photovoltaics, and chemical reactions on surfaces of metal and transition metal oxides. Most of our projects have been carried out in close collaboration with experimental groups in the US and Europe. For more information, please refer to our group website.

Selected Publications

1. “Formation of large polysulfide complex during lithium-sulfur battery discharge.” B. Wang, S. M. Alhassan, S. T. Pantelides, Phys. Rev. Appl. accepted (2014)

2. “Ultrafast phase transition via catastrophic phonon collapse driven by plasmonic hot-electron injection.” K. Appavoo, B. Wang, N. F. Brady, M. Seo, J. Nag, R. P. Prasankumar, D. J. Hilton, S. T. Pantelides, R. F. Haglund, Nano Lett. 14, 1127 (2014)

3. “Room-temperature reactions for self-cleaning molecular nanosensors.” K. Warnick, B. Wang, D. E. Cliffel, D. W. Wright, R. F. Haglund, S. T. Pantelides, Nano Lett. 13, 798 (2013) 

4. “Bandgap engineering of strained monolayer and bilayer MoS2.” H. Conley, B. Wang, J. Ziegler, R. F. Haglund, S. T. Pantelides, K. I. Bolotin, Nano Lett. 13, 3626 (2013)

5. “Introduction of nitrogen with controllable configuration into graphene via vacancies and edges.” B. Wang, L. Tsetseris, S. T. Pantelides, J. Mater. Chem. A 1, 14927 (2013)

6. “Interfacial coupling in rotational monolayer and bilayer graphene on Ru(0001) from first principles.” B. Wang, M.-L. Bocquet, Nanoscale 4, 4687 (2012)

7. “Probing charge scattering mechanisms in suspended graphene by varying its dielectric environment.” A.K.M. Newaz, Y. S. Puzyrev, B. Wang, S. T. Pantelides, K. I. Bolotin, Nature Commun. 3, 734 (2012)

8. “A multi-sensor device for the highly-efficient diffusivity measurement and overall concentration-polarization evaluation in fuel cells.” W. He, B. Wang, Adv. Energy Mater. 2, 329 (2012)

9. “Monolayer graphene and h-BN on metal substrates as versatile templates for metallic nanoclusters.” B. Wang, M.-L. Bocquet, J. Phys. Chem. Lett. 2, 2341 (2011)

10. “Strain enhanced defect reactivity at grain boundaries in polycrystalline graphene.” B. Wang, Y. S. Puzyrev, S. T. Pantelides, Carbon 49, 3983 (2011)

11. “Single terrace growth of graphene on a metal surface.” S. Günther, S. Dänhardt, B. Wang, M. -L. Bocquet, S. Schmitt and J. Wintterlin, Nano Lett. 11, 1895 (2011)

12. “Structure determination of the coincidence phase of graphene on Ru(0001).” W. Moritz, B. Wang, M.-L. Bocquet, T. Brugger, T. Greber, J. Wintterlin, S. Gunther, Phys. Rev. Lett. 104, 136102 (2010)

13. “Comment on periodically rippled graphene: growth and spatially resolved Electronic structure.” B. Wang, M.-L. Bocquet, S. Günther, J. Wintterlin, Phys. Rev. Lett. 101, 099703 (2008)

14. “Chemical origin of a graphene moiré overlayer on Ru(0001).” B. Wang, M. -L. Bocquet, S. Marchini, S. Gunther, J. Wintterlin, Phys. Chem. Chem. Phys. 10, 3530 (2008)