Theoretical Studies on the Electronic and Optical Properties of Honeycomb BC3 monolayer: A Promising Candidate for Metal-free Photocatalysts
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DOI: 10.1021/acsomega.8b01998
Abstract: By employing first-principles computations and particle-swarm optimization calculations, we theoretically confirmed the honeycomb geometry of experimentally realized BC3 sheet, which is constructed by the hexagonal carbon-ring fragments surrounded by six boron atoms and has pronounced… read more here.
Keywords: honeycomb bc3; free photocatalysts; monolayer; bc3 monolayer ... See more keywords