The effect of the heteroatom (X=P, As, Si and Ge) on the geometrical and electronic properties of α-Keggin polyoxometalates (M=Mo, W and Nb) – A DFT investigation
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128159
Abstract: Abstract The α-Keggin polyoxometalates (K-POMs) are an important class of materials that have been envisaged as building blocks of nanostructures and functional materials with potential application in catalysis. They are heteropolyanions with formula [XM12O40]n− consisting… read more here.
Keywords: heteroatom geometrical; geometrical electronic; heteroatom; keggin polyoxometalates ... See more keywords
Investigating the effect of heteroatom substitution in 2,1,3-benzoxadiazole and 2,1,3-benzothiadiazole compounds for organic photovoltaics
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Materials Chemistry C"
DOI: 10.1039/c7tc05075e
Abstract: Two new donor–acceptor−donor molecules, featuring either 2,1,3-benzothiadiazole (BT) or 2,1,3-benzoxadiazole (BO) and capped by benzofuranyl-thienyl groups, are presented. The structures of these novel compounds differ only in the identity of one heteroatom in the acceptor… read more here.
Keywords: investigating effect; benzoxadiazole; heteroatom substitution; heteroatom ... See more keywords