Theoretical study of Au20/WS2 composite material as a potential candidate for the capture of XO (X=C, N, S) gases
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DOI: 10.1016/j.cocom.2021.e00580
Abstract: Abstract In this study, density functional theory (DFT) calculations were carried out to understand the structural stability of the interaction of Au20 pyramidal cluster on the tungsten disulfide (WS2) monolayer. According to the adsorption energy… read more here.
Keywords: system; au20 ws2; ws2 composite; ws2 monolayer ... See more keywords