Designing active Ta3N5 photocatalyst for H2 and O2 evolution reactions by specific exposed facets engineering: a first-principles study
KAUST DepartmentChemical Science Program
KAUST Catalysis Center (KCC)
Physical Science and Engineering (PSE) Division
Embargo End Date2021-04-16
Permanent link to this recordhttp://hdl.handle.net/10754/662600
MetadataShow full item record
Abstract<p>The effects of native defects and exposed facets on the thermodynamic stability and photocatalytic characteristics of Ta3N5 for water splitting is studied by applying accurate quantum computations on the basis...</p>
CitationHarb, M., Cavallo, L., & Basset, J.-M. (2020). Designing active Ta3N5 photocatalyst for H2 and O2 evolution reactions by specific exposed facets engineering: a first-principles study. Physical Chemistry Chemical Physics. doi:10.1039/d0cp01394c
SponsorsThis research project was achieved in the King Abdullah University of Science and Technology (KAUST). We warmly thank the KAUST Supercomputing Laboratory (KSL) for the computational time granted to this work.
PublisherRoyal Society of Chemistry (RSC)
Except where otherwise noted, this item's license is described as This is an open access article licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.