• 文献标题:   Adsorption and desorption of hydrogen on graphene with dimer conversion
  • 文献类型:   Article
  • 作  者:   XIA Y, WANG WL, LI ZB, KREUZER HJ
  • 作者关键词:   graphene, molecular hydrogen, nonequilibrium thermodynamic, adsorption, orthohydrogen, parahydrogen
  • 出版物名称:   SURFACE SCIENCE
  • ISSN:   0039-6028 EI 1879-2758
  • 通讯作者地址:   Sun Yat Sen Univ
  • 被引频次:   1
  • DOI:   10.1016/j.susc.2013.07.018
  • 出版年:   2013

▎ 摘  要

We apply non-equilibrium thermodynamics to describe the adsorption and desorption of molecular hydrogen on graphene. Lateral interactions, precursor states in both adsorption and desorption, and limited dimer conversion are important to explain semi-quantitatively the main features of temperature-programmed desorption spectra. All energy and vibrational parameters are taken from density functional calculations. Deficiencies in previous attempts are discussed. We also point out the need for a multi-dimensional dynamic theory. (C) 2013 Elsevier B.V. All rights reserved.