Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study
Shaker Al‐Hasnaawei, Farag M. A. Altalbawy, Prakash Kanjariya, Anjan Kumar, K S Kiran, Debasish Shit, Subhashree Ray, Nargiza Kamolova, Aashna Sinha
Topics & Concepts
AdsorptionHeterojunctionDopingMoleculeMaterials scienceDensity functional theoryRare gasChemical physicsChemistryNanotechnologyPhysical chemistryChemical engineeringComputational chemistryPhysicsOptoelectronicsAtomic physicsOrganic chemistryEngineering2D Materials and ApplicationsMXene and MAX Phase MaterialsCatalytic Processes in Materials Science