First-principles probing of Au-doped WS2 monolayer as a superb CO sensor with high selectivity and fast diffusion
Minming Jiang, Jiang Xu, Paul Munroe, Zonghan Xie
Topics & Concepts
MonolayerMaterials scienceChemisorptionDopingAdsorptionMoleculeWork functionAtom (system on chip)Density functional theoryChemical physicsSelectivityPhysical chemistryComputational chemistryNanotechnologyChemistryCatalysisOrganic chemistryLayer (electronics)Computer scienceOptoelectronicsEmbedded systemGas Sensing Nanomaterials and Sensors2D Materials and ApplicationsMXene and MAX Phase Materials