title: Discovery of a Novel Sn(II)-Based Oxide β-SnMoO4for Daylight-Driven Photocatalysis.
abstract: Daylight-driven photocatalysts have attracted much attention in the context of "green" technology. Although various active materials have been reported and their applications are rapidly increasing, many are discovered after enormous experimental efforts. Herein the discovery of a novel oxide photocatalyst, β-SnMoO4, is demonstrated via a rational search of 3483 known and hypothetical compounds with various compositions and structures over the whole range of SnO-MOq/2(M: Ti, Zr, and Hf (q= 4); V, Nb, and Ta (q= 5); Cr, Mo, and W (q= 6)) pseudobinary systems. Screening using thermodynamic stability, band gap, and band-edge positions by density functional theory calculations identifies β-SnMoO4as a potential target. Then a low temperature route is used to successfully synthesize the novel crystal, which is confirmed by X-ray powder diffraction and Mössbauer spectroscopy. β-SnMoO4is active for the photocatalytic decomposition of a methylene blue solution under daylight and its activity is comparable to a known photocatalyst, β-SnWO4.
authors.affiliation: Department of Materials Science and EngineeringKyoto UniversitySakyoKyoto606-8501Japan; Center for Materials Research by Information IntegrationNational Institute for Materials ScienceTsukuba305-0047Japan.
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Hayashi
authors.affiliation: Department of Materials Science and Engineering Kyoto University Sakyo Kyoto 606-8501 Japan.
authors.forename: Shota
authors.initials: S
authors.lastname: Katayama
authors.affiliation: Department of Materials Science and Engineering Kyoto University Sakyo Kyoto 606-8501 Japan.
authors.forename: Takahiro
authors.initials: T
authors.lastname: Komura
authors.affiliation: Department of Materials Science and EngineeringKyoto UniversitySakyoKyoto606-8501Japan; Center for Materials Research by Information IntegrationNational Institute for Materials ScienceTsukuba305-0047Japan.
authors.forename: Yoyo
authors.initials: Y
authors.lastname: Hinuma
authors.affiliation: Department of Materials Science and Engineering Kyoto University Sakyo Kyoto 606-8501 Japan.
authors.forename: Tomoyasu
authors.initials: T
authors.lastname: Yokoyama
authors.affiliation: Graduate School of Engineering Nagoya Institute of Technology Showa-ku Nagoya Aichi 466-8555 Japan.
authors.forename: Ko
authors.initials: K
authors.lastname: Mibu
authors.affiliation: Department of Materials Science and Engineering Kyoto University Sakyo Kyoto 606-8501 Japan; Center for Materials Research by Information Integration National Institute for Materials Science Tsukuba 305-0047 Japan; Materials and Structures Laboratory Tokyo Institute of Technology Yokohama 226-8503 Japan.
authors.forename: Fumiyasu
authors.initials: F
authors.lastname: Oba
authors.affiliation: Department of Materials Science and Engineering Kyoto University Sakyo Kyoto 606-8501 Japan; Center for Materials Research by Information Integration National Institute for Materials Science Tsukuba 305-0047 Japan; Nanostructures Research Laboratory Japan Fine Ceramics Center Nagoya 456-8587 Japan.
authors.forename: Isao
authors.initials: I
authors.lastname: Tanaka
keywords: divalent tin oxides; first‐principles calculations; high‐throughput screening; low temperature synthesis; photocatalysts