Screening performance of methane activation over atomically dispersed metal catalysts on defective boron nitride monolayers: A density functional theory study
Xiaoming Cao, Haijin Zhou, Liyang Zhao, Xuning Chen, P. Hu
Topics & Concepts
MonolayerCatalysisBoron nitrideDehydrogenationDensity functional theoryValence (chemistry)ChemisorptionMetalThermal stabilityOxygenChemistryMaterials scienceNitrideAdsorptionBoronInorganic chemistryChemical engineeringPhysical chemistryNanotechnologyComputational chemistryOrganic chemistryLayer (electronics)EngineeringCatalytic Processes in Materials ScienceMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework Applications