First principles study of the permeability of graphene to hydrogen atoms
Abstract
Using calculations from first principles and harmonic transition state theory, we investigated the permeability of a single
* Corresponding authors
a
Soft Matter Research Center and Department of Chemistry, Zhejiang University, Hangzhou 310027, P. R. China
E-mail:
liuyingch@zju.edu.cn
b Department of Physics and Department of Chemistry, University of North Texas, Denton, TX, and CSMD, Oak Ridge National Laboratory, Oak Ridge, TN, USA
Using calculations from first principles and harmonic transition state theory, we investigated the permeability of a single
M. Miao, M. B. Nardelli, Q. Wang and Y. Liu, Phys. Chem. Chem. Phys., 2013, 15, 16132 DOI: 10.1039/C3CP52318G
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