Influence of the copper deficiency and anionic composition on band-energy diagram of bulk kesterite CZTSSe
Sign Up to like & getrecommendations! Published in 2021 at "Materials Research Bulletin"
DOI: 10.1016/j.materresbull.2021.111285
Abstract: Abstract The influence of the chemical composition on band edges and Fermi level of the Cu2ZnSn(SxSe1-x)4 stoichiometric compounds was investigated. The Cu-poor compounds, Cu1.70Zn1.15SnSSe3 and Cu1.70Zn1.15SnS2Se2, were also studied according to the same approach. As… read more here.
Keywords: influence copper; bulk; band; composition ... See more keywords
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