Molecular docking and DFT analyses of magnetic cobalt doped MoS2 and BN nanocomposites for catalytic and antimicrobial explorations
Ali Raza, Jahan Zeb Hassan, Muhammad Ikram, Sadia Naz, Ali Haider, Anwar Ul‐Hamid, Iram Shahzadi, Junaid Haider, Souraya Goumri‐Said, Mohammed Benali Kanoun, Sajjad Ali
Topics & Concepts
DopantMaterials scienceDopingDensity functional theoryBand gapGrapheneRaman spectroscopyNanocompositeMagnetismNanotechnologyFermi levelCobaltChemical physicsChemical engineeringCondensed matter physicsComputational chemistryOptoelectronicsMetallurgyElectronPhysicsOpticsQuantum mechanicsEngineeringChemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques