Effect of doping on the sensitivity of Ti2CO2 toward NO: A DFT study
Qingxiao Zhou, Li Wang, Weiwei Ju, Zenghui Zhao, Jie Hou, Yongliang Yong, Huanyu Miao
Topics & Concepts
Density functional theoryChemisorptionDopingVacancy defectDopantMoleculeAdsorptionChemical physicsMXenesPhysicsNanotechnologyAtomic physicsCondensed matter physicsComputational chemistryMaterials sciencePhysical chemistryChemistryQuantum mechanicsMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Photocatalysis Techniques