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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
Authors:Zhong  Si-Ying  Wu  Shao-Yi  Yu  Xing-Yuan  Shen  Gao-Qiang  Yan  Li  Xu  Kai-Lai
Abstract:Catalysis Surveys from Asia - The adsorption properties for some gas molecules (H2, N2, CO, NO and CO2) on pristine and transition metal-doped h-BN monolayer are investigated by using density...
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