Adsorption of NH3 on Monolayer SiC Doped with Noble Metals: A First-Principles Study

Abstract We investigates the effect of noble metals (Ag, Au, and Pt) doped SiC for the adsorption behavior of NH3 gas by using the first-principles method. The influence of NH3 gas and noble metals upon the electronic characteristics of SiC structures are explored. In comparison to the pristine structure, the doped SiC structures reveal significant changes in electronic characteristics, and the adsorption capacity is greatly improved due to incorporation of noble metals. Thus, the sensitivity is enhanced in contrast to the pristine structure. Our results show that the Pt-doped SiC might be a useful candidate for developing sensitive NH3 gas detectors.