Confluence of structural distortion and A -site composition in the band gaps of perovskite niobate and tantalate photocatalysts
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.045202
Abstract: The effects of structural distortion and $A$-site composition on the band gaps and band-edge orbitals of perovskite niobate and tantalate photocatalysts are explored using density-functional theory and crystal-field theory. When filled $d$ orbitals are introduced… read more here.
Keywords: distortion site; site; structural distortion; band ... See more keywords
Role of lattice distortion and A site cation in the phase transitions of methylammonium lead halide perovskites
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.2.065404
Abstract: This paper was supported by Engineering and Physical Sciences Research Council (EPSRC) Grants No. EP/K503162/1, No. EP/M506631/1, No. EP/M025330/1, No. EP/L017008/1, No. EP/K022237/1, No. EP/K015540/1, and No. EP/I036079/1. RUS facilities in Cambridge were established through… read more here.
Keywords: role lattice; research; cation phase; site cation ... See more keywords