An electronic structure governed by the displacement of the indium site in In–S6 octahedra: LnOInS2 (Ln = La, Ce, and Pr). Issue 32 (24th July 2019)

• Record Type: Journal Article
• Authors: Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu
• Is Part Of: Dalton transactions. Volume 48:Issue 32(2019)
• Page Start: 12272
• Page End: 12278
• Publication Date: 2019-07-24
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c9dt01562k
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : Large atomic displacements of indium govern the electronic structures of LnOInS2 (Ln = La, Ce, and Pr). Abstract : An extremely large displacement of the indium site in In–S6 octahedra in LnOInS2 (Ln = La, Ce, and Pr) was found in synchrotron X-ray diffraction. LaOInS2 with off-center indium in In–S6 octahedra exhibited a wider optical band gap than CeOInS2 and PrOInS2 with on-center indium. Therefore, the electronic structure of LnOInS2 is governed by the indium site with an extremely large displacement. All LnOInS2 produced H2 gas under visible light irradiation in the presence of sacrificial electron donors.