Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations
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DOI: 10.1007/s00894-019-3974-y
Abstract: AbstractStudies of hydrogen sulfide (H2S) and ammonia (NH3) adsorption on phosphorus (P) and silicon (Si) doped graphene are performed by ab initio calculations using the periodic density functional theory (DFT). The P and Si incorporation… read more here.
Keywords: adsorption; silicon doped; doped graphene; sulfide ammonia ... See more keywords