Impact of various dopant elements on the electronic structure of Cu<sub>2</sub>ZnSnS<sub>4</sub>(CZTS) thin films: a DFT study
Andrey A. Kistanov, Wei Cao, Marko Huttula, С. Х. Хадиуллин, Elena A. Korznikova, Aliaksandr Smirnov, Xinghui Wang, Siarhei Zhuk
Abstract
New structures made based on Cu<sub>2</sub>ZnSnS<sub>4</sub>(CZTS) by substitutions with Cr, Ti, V, and Mo species were investigated<italic>via</italic>density functional theory.
Topics & Concepts
CZTSDopantDensity functional theoryMaterials scienceThin filmDopingCrystallographyNanotechnologyChemistryOptoelectronicsComputational chemistryChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications