h-BN nanosheets doped with transition metals for environmental remediation; a DFT approach and molecular docking analysis
Jahan Zeb Hassan, Sadia Naz, Ali Haider, Ali Raza, Anwar Ul‐Hamid, Usman Qumar, Junaid Haider, Souraya Goumri‐Said, Mohammed Benali Kanoun, Muhammad Ikram
Topics & Concepts
Density functional theoryDopingNanomaterial-based catalystCatalysisMonolayerAdsorptionMaterials scienceTransition metalEnvironmental remediationDocking (animal)MoleculeBand gapNanotechnologyChemical engineeringComputational chemistryChemical physicsPhysical chemistryChemistryNanoparticleOrganic chemistryOptoelectronicsEcologyContaminationBiologyEngineeringMedicineNursingBoron and Carbon Nanomaterials ResearchGraphene research and applicationsMXene and MAX Phase Materials