Predicting a new graphene derivative C3H as potential photocatalyst for water splitting and CO2 reduction
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DOI: 10.1016/j.physe.2020.114562
Abstract: Abstract A new graphene derivative C3H monolayer is identified theoretically by swarm-intelligence structural search and first-principles calculations. The single-layer C3H with a planar conformation is built by annular C18H6 units and shows high thermodynamic stability,… read more here.
Keywords: c3h; water splitting; derivative c3h; new graphene ... See more keywords