Wang, Bin - The University of Oklahoma - Chemical, Biological and Materials Engineering

个人简介

Postdoctoral research associate, 2010-2014 Dept. Physics and Astronomy, Vanderbilt University, Nashville, TN Ph.D. in Chemistry (2011)Laboratoire de chimie, École Normale Supérieure (ENS) de Lyon, France 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 Distinctions/Awards Department of Energy Early Career (2019) ACSIN Young Scientist prize for the best student paper (2009),10th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN10), Granada, Spain Marie Curie Fellowship for Early Stage Research Training (2007-2009)

研究领域

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, and energy conversion. 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.

近期论文

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Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water, Z. Zhao, R. M. Bababrik, W. Xue, Y. Li, N. Briggs, D.-T. Nguyen, U. Nguyen, S. Crossley, S. Wang, Bin Wang*, D. Resasco*, Nature Catalysis, 2, 431-436 (2019) Understanding the different diffusion mechanisms of hydrated protons and potassium ions in titanium carbide MXene, Jing Wen, Qishan Fu, Wanying Wu, Hong Gao, Xitian Zhang*, Bin Wang*, ACS Appl. Mater. Interfaces, 11(7), 7087-7095 (2019) Role of In in Hydrogenation of N-Related Complexes in GaInNA, Tong Mou, S. Li, C. Brown, V. Whiteside, K. Hossain, M. Al Khalfioui, M. Leroux, I. Sellers, Bin Wang*, ACS Applied Electronic Materials, 1(4), 461-466 (2019) Aldol condensation of cyclopentanone on hydrophobized MgO. Promotional role of water and changes in rate-limiting step upon organosilane functionalization, D. Ngo, Q. Tan, Bin Wang, D. E. Resasco, ACS Catalysis, 9, 2831-2841 (2019) Distributed catalytic processes for biomass conversion could help to address UN Sustainable Development Goals, D. E. Resasco*, Bin Wang*, D. Sabatini, Nature Catalysis, 1, 731-735 (2018) Enhanced Chemical Activity and Wettability at Adjacent Brønsted Acid Sites in HZSM-5, M. Zeets, D. E. Resasco, Bin Wang*, Catal. Today, 312, 44-50 (2018) Ab initio calculations of ionic hydrocarbon compounds with heptacoordinate carbon, G. Wang, A. K. F. Rahman, Bin Wang*, J. Mol. Model. 24, 116 (2018) Reaction mechanism of conversion of ϒ-valerolactone (GVL) over a Ru catalyst: a first-principles study, R. M. Bababrik, B. Wang*, D. Resasco, Ind. Eng. Chem. Res. 56(12), 3217-3222 (2017) Interfacial engineering of phthalocyanine molecules on graphitic and metal substrates, B. Wang*, Mol. Simul. 43(5-6), 384-393 (2017) Confining Sulfur Species in Cathodes of Lithium–Sulfur Batteries: Insight into Nonpolar and Polar Matrix Surfaces, S.-Q. Li, T. Mou, G.-F. Ren, J. Warzywoda, B. Wang, Z.-Y. Fan, ACS Energy Lett. 1, 481-489 (2016) Direct carbon-carbon coupling of furanics with acetic acid over Brønsted zeolites, A. Gumidyala, B. Wang, S. Crossley, Science Advances 2(9), e160107 (2016) Formation of Large Polysulfide Complexes during the Lithium-Sulfur Battery Discharge, B. Wang*, S. M. Alhassan, S. T. Pantelides, Phys. Rev. Appl. 2, 034004 (2014) Bandgap engineering of strained monolayer and bilayer MoS2, H. Conley, B. Wang, J. I. Ziegler, R. F. Haglund, S. T. Pantelides, K. I. Bolotin, Nano Lett. 13, 3626 (2013) Defects and doping and their role in functionalizing graphene, S. T. Pantelides, Y. Puzyrev, L. Tsetseris, B. Wang, MRS Bull. 37, 1187 (2012) Metal-Organic interaction probed by first principles STM simulations, M.-L. Bocquet, B. Wang, Prog. Surf. Sci. 85, 435 (2010) Chemical origin of a graphene moiré overlayer on Ru(0001), B. Wang, M. -L. Bocquet, S. Marchini, S. Günther, J. Wintterlin, Phys. Chem. Chem. Phys. 10, 3530 (2008)