LAUSR

Conformational Gap Control in CsTaS3.

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1 Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.1c10947

Abstract: Simple arguments based on orbital energies and crystal symmetry suggest the band gap of CsTaS3 to be suitable for solar cell photovoltaics. Here, we combine chemical theory with sophisticated calculations to describe an intricate relationship… read more here.

Keywords: conformational gap; control cstas3; gap control; band gap ... See more keywords