Predicting the Most Suitable Surface Candidates of Ta3N5 Photocatalysts for Water-Splitting Reactions Using Screened Coulomb Hybrid DFT Computations
Sign Up to like & getrecommendations! 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 ... read more here.
Keywords: dft; water splitting; water; predicting suitable ... See more keywords