Abstract
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.
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