Transition metal oxides (NiO, SnO2, In2O3) modified graphene: A promising candidate to detect and scavenge CO, C2H2, and CH4 gases

This work conducted a density functional theory study on CO, C2H2, and CH4 gases adsorption on transition metal oxides (NiO, SnO2, In2O3) modified graphene monolayer. The application prospects of NiO/SnO2/In2O3 modified graphene monolayer in adsorbents and gas-sensitive materials are discussed from the aspects of modified model, band structure, synergistic effect, adsorption energy, adsorption distance, adsorption structure, electron transfer, …