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Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.9b09707
Abstract: Ta3N5 is one of the mostly used photocatalysts for visible light-driven water splitting. Using accurate first-principles calculations based on the density functional theory (DFT) with the screened ...
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Keywords:
dft;
water splitting;
water;
predicting suitable ... See more keywords