Ethanol sensing using group-11 transition metal decorated graphitic carbon nitride (gCN): An insights from DFT study

Abstract

In this study we presented the DFT based sensing of ethanol using pristine graphitic carbon nitride (gCN) and group-11 TM (Cu, Ag & Au) decorated gCN. The theoretical calculations of binding energy, Adsorption energy, band structure, density of states and current-voltage analysis depicts that Ag/gCN has commendable sensing behaviors as compared to pristine gCN. The response of pristine gCN is 36.58 % which enhances to 45.83 % with decoration of Ag on gCN surface.