DFT study of sensing properties of defected and transition-metal doped V2CF2 towards CH4
Yajing Wang, Qingxiao Zhou, Jie Hou, Xiaoyang Liu, Weiwei Ju, Zenghui Zhao
Topics & Concepts
AdsorptionDopantChemisorptionDensity functional theoryMaterials scienceTransition metalVacancy defectDopingMXenesAtomic orbitalChemical physicsMagnetic momentAtom (system on chip)Density of statesChemistryElectronComputational chemistryPhysical chemistryNanotechnologyCondensed matter physicsCrystallographyOptoelectronicsPhysicsQuantum mechanicsEmbedded systemCatalysisBiochemistryComputer scienceMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques2D Materials and Applications