DFT/TDDFT in silico design of ullazine-derived D-π-A-π-A dye photosensitiser
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DOI: 10.1039/d3nj00519d
Abstract: A set of ullazine-derived D-π-A-π-A photosensitizers were considered and selected for the potential dye with the best performance via computational approaches. The designed dyes HJ1~HJ13, which originated from YZ7, were... read more here.
Keywords: silico design; tddft silico; design ullazine; derived dye ... See more keywords