title: On Structural Features Necessary for Near-IR-Light Photocatalysts.
abstract: In the search for photocatalysts that can directly utilize near-IR (NIR) light, we investigated three oxides Cu3(OH)4SO4 (antlerite), Cu4(OH)6SO4, and Cu2(OH)3Cl by photodecomposing 2,4-dichlorophenol over them under NIR irradiation and by comparing their electronic structures with that of the known NIR photocatalyst Cu2(OH)PO4. Both Cu3(OH)4SO4 and Cu4(OH)6SO4 are NIR photocatalysts, but Cu2(OH)3Cl is not. Thus, in addition to the presence of two different CuOm and Cu'On polyhedra linked with Cu-O-Cu' bridges, the presence of acceptor groups (e.g., SO4, PO4) linked to the metal oxygen polyhedra is necessary for NIR photocatalysts.
authors.affiliation: State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (P. R. China).
authors.forename: Gang
authors.initials: G
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (P. R. China). bbhuang@sdu.edu.cn.
authors.forename: Baibiao
authors.initials: B
authors.lastname: Huang
authors.affiliation: School of Physics, Shandong University, Jinan 250100 (P. R. China).
authors.forename: Zhujie
authors.initials: Z
authors.lastname: Li
authors.affiliation: State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (P. R. China).
authors.forename: Zeyan
authors.initials: Z
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (P. R. China).
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Qin
authors.affiliation: State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (P. R. China).
authors.forename: Xiaoyang
authors.initials: X
authors.lastname: Zhang
authors.affiliation: School of Physics, Shandong University, Jinan 250100 (P. R. China).
authors.forename: Ying
authors.initials: Y
authors.lastname: Dai
authors.affiliation: Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8205 (USA).
authors.forename: Myung-Hwan
authors.initials: MH
authors.lastname: Whangbo
keywords: DFT analysis; copper; near IR light; photocatalysis; polyhedra