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Adsorption and Catalytic Activation of the Molecular Oxygen on the Metal Supported h-BN

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Title: Adsorption and Catalytic Activation of the Molecular Oxygen on the Metal Supported h-BN
Authors: Lyalin, Andrey Browse this author
Nakayama, Akira Browse this author →KAKEN DB
Uosaki, Kohei Browse this author →KAKEN DB
Taketsugu, Tetsuya Browse this author →KAKEN DB
Keywords: Oxidation reactions
Oxygen activation
Oxygen adsorption
Hexagonal boron nitride
Issue Date: 1-Jun-2014
Publisher: Springer/Plenum Publishers
Journal Title: Topics in catalysis
Volume: 57
Issue: 10-13
Start Page: 1032
End Page: 1041
Publisher DOI: 10.1007/s11244-014-0267-7
Abstract: Adsorption and catalytic activation of the molecular oxygen on the hexagonal boron nitride (h-BN) monolayer supported on Ni(111) and Cu(111) surfaces have been studied theoretically using density functional theory. It is demonstrated that an inert h-BN monolayer can be functionalized and become catalytically active on the transition metal support as a result of mixing of the metal d and h-BN pi bands.
Type: article (author version)
Appears in Collections:理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 武次 徹也

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