Gas molecules (CH4, CO, H2O and H2S) adsorption on VC (001)surface: a first principles study
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DOI: 10.1088/1402-4896/ac3e18
Abstract: The first principle plane wave pseudo-potential method based on density functional theory system is used to calculate and simulate the geometric structure, density of states and optical properties of intrinsic VC materials. And we further… read more here.
Keywords: h2o h2s; surface; ch4 h2o; gas ... See more keywords