A DFT study of Zr2CO2/MoS2 heterostructures as gas sensors to HCN

Qingxiao Zhou, Li Wang, Weiwei Ju, Yongliang Yong, Shilin Wu, Yajing Wang, Huanyu Miao

2023Colloids and Surfaces A Physicochemical and Engineering Aspects23 citationsDOI

Topics & Concepts

HeterojunctionDensity functional theoryAdsorptionVacancy defectDopingMoleculeTransition metalMaterials scienceMetalChemical physicsChemistryComputational chemistryPhysical chemistryCrystallographyOptoelectronicsCatalysisOrganic chemistryMetallurgyGas Sensing Nanomaterials and SensorsZnO doping and propertiesMXene and MAX Phase Materials