Gas sensing and hydrogen storage property of Ti2CO2 doped by 3d transition-metal (V, Cr, and Co): A DFT study
Qingxiao Zhou, Weiguang Feng, Li Wang, Weiwei Ju, Yongliang Yong, Huanyu Miao
Topics & Concepts
Hydrogen storageMXenesAdsorptionDopingDensity functional theoryMaterials scienceHydrogenTransition metalMoleculeVacancy defectChemical physicsPhysical chemistryInorganic chemistryNanotechnologyChemistryComputational chemistryOptoelectronicsCrystallographyOrganic chemistryCatalysisMXene and MAX Phase MaterialsGas Sensing Nanomaterials and Sensors2D Materials and Applications