Original paper

Adsorption and dissociation of CH4 on graphene: A density functional theory study

Volume: 459, Pages: 693 - 699
Published: Nov 1, 2018
Abstract
To investigate the mechanism of the heterogenous reactions during the Chemical vapor infiltration (CVI) process of carbon/carbon composites, the dissociation of CH4 on graphene was calculated by density functional theory (DFT). Graphene was used as the adsorption surface in the course of the heterogenous reactions. Based on the energy analysis, the preferred adsorption sites of CHx(x = 0–4) and H on graphene were obtained. Then, the stable...
Paper Details
Title
Adsorption and dissociation of CH4 on graphene: A density functional theory study
Published Date
Nov 1, 2018
Volume
459
Pages
693 - 699
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