Unidentical Twins: Geometrically Similar but Chemically Distinct Metal-Free Sites in Boron Oxide for Methane Oxidation to HCHO, CO and CO<sub>2</sub>.

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第一作者： Parveen,Rawal

第一单位： Computational Catalysis Center, Department of Chemistry, Indian Institute of Technology Roorkee, 247667, Roorkee, Uttarakhand, India.

作者： Parveen,Rawal ^[1] ; Puneet,Gupta ^[2]

作者单位： Computational Catalysis Center, Department of Chemistry, Indian Institute of Technology Roorkee, 247667, Roorkee, Uttarakhand, India. ^[1] Computational Catalysis Center, Department of Chemistry, Indian Institute of Technology Roorkee, 247667, Roorkee, Uttarakhand, India.;Center for Sustainable Energy, Indian Institute of Technology Roorkee, 247667, Roorkee, Uttarakhand, India. ^[2]

关键词 O2 and C?H activation boron oxide density functional theory methane and formaldehyde oxidation reaction mechanisms

DOI 10.1002/chem.202401050

PMID 38606609

发布时间 2024-07-06

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