Experimental and computational study of transition metals group10 and 11 decorated graphitic carbon nitride based nanocomposite for acetone and ethanol sensing

Abstract

This thesis addressed the improvement strategies in sensing behavior of pristine graphitic carbon nitride towards acetone and ethanol by klecorating it with group-10 and 11 transition metal nanoparticles both newlinecomputationally and experimentally. The computational analysis was done by DET based approach by calculating adsorption energy, band structure, and density of states. Experimentally, pristine and group-10 TM iecorated gCN materials were synthesized and tested for sensitivity. selectivity, response/recovery time, and stability. Both computational and experimental study confirms that Ag/gCN have commendable sensing properties compared to other materials under study. newline newline