Adsorption and desorption of hydrogen on graphene with dimer conversion

作者：Xia, Yu; Wang, Weiliang; Li, Zhibing^*; Kreuzer, H. Juergen

来源：Surface Science, 2013, 617: 131-135.

DOI：10.1016/j.susc.2013.07.018

• Graphene
• Molecular hydrogen
• Non-equilibrium thermodynamics
• Adsorption
• Orthohydrogen
• Para-hydrogen

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.

• 出版日期2013-11
• 单位光电材料与技术国家重点实验室; 中山大学