Chalcogen Doping in SnO: A DFT Investigation of Optical and Electronic Properties for Enhanced Photocatalytic Applications.

Tin dioxide (SnO) is an important transparent conductive oxide (TCO), highly desirable for its use in various technologies due to its earth abundance and non-toxicity. It is studied for applications such as photocatalysis, energy harvesting, energy storage, LEDs, and photovoltaics as an electron transport layer. Elemental doping has been an established method to tune its band gap, increase conductivity, passivate defects, etc.