Effect of coexistence of vacancy and strain on the electronic properties of NH3 adsorption on the Hf2CO2 MXene from first-principles calculations
Shanshan Li, Xing‐Hao Cui, Xiao‐Hong Li, Hai‐Tao Yan, Rui-Zhou Zhang, Hong‐Ling Cui
Topics & Concepts
AdsorptionMonolayerVacancy defectStrain (injury)DesorptionMoleculeMaterials scienceTransition metalChemical physicsChemistryPhysical chemistryNanotechnologyCatalysisCrystallographyOrganic chemistryMedicineInternal medicineMXene and MAX Phase MaterialsGraphene research and applicationsBoron and Carbon Nanomaterials Research