Theoretical investigations of O- and F- surface functionalization of MXenes based on Cr2M(M=C, N)
Bakhtiar Ul Haq, Se‐Hun Kim, Sofia Tahir, R. Ahmed, S. AlFaify, Khorsed Alam, Aijaz Rasool Chaudhry
Topics & Concepts
MXenesSurface modificationMaterials scienceDensity functional theoryFermi levelMagnetismMetalNanotechnologyCondensed matter physicsPhysical chemistryComputational chemistryChemistryPhysicsMetallurgyElectronQuantum mechanicsMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Photocatalysis Techniques