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First-Principles Studies of the Adsorption and Catalytic Properties for Gas Molecules on h-BN Monolayer Doped with Various Transition Metal Atoms

Si‐Ying Zhong, Shao-Yi Wu, Xing-Yuan Yu, Gao-Qiang Shen, Yan Li, Kailai Xu

2021Catalysis Surveys from Asia33 citationsDOI

Topics & Concepts

MonolayerAdsorptionCatalysisMoleculeTransition metalChemistryDopantDopingMetalPhysical chemistryDensity functional theoryVacancy defectInorganic chemistryMaterials scienceCrystallographyComputational chemistryOrganic chemistryOptoelectronicsBiochemistryAmmonia Synthesis and Nitrogen ReductionCatalytic Processes in Materials Science2D Materials and Applications
First-Principles Studies of the Adsorption and Catalytic Properties for Gas Molecules on h-BN Monolayer Doped with Various Transition Metal Atoms | Litcius