DFT study of SF6 adsorption by Pd-doped hydroxyl-terminal modified Ti3C2Tx MXene
Yiming Yan, Fuping Zeng, Long Wang, Xiangyu Wang, Kexin Zhu, Qiang Yao, Ju Tang
Topics & Concepts
AdsorptionDensity functional theoryDopingMaterials scienceCatalysisCharge densityChemical engineeringComputational chemistryPhysical chemistryChemistryOrganic chemistryPhysicsQuantum mechanicsEngineeringOptoelectronicsMXene and MAX Phase MaterialsGraphene research and applications2D Materials and Applications