title: MnPSe3Monolayer: A Promising 2D Visible-Light Photohydrolytic Catalyst with High Carrier Mobility.
abstract: The 2D material single-layer MnPSe3would be a promising photocatalyst for water splitting, as indicated by the proper positions of band edges, strong absorption in visible-light spectrum, broad applicability (pH = 0 - 7), and high carrier mobility.
authors.affiliation: Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry Computational Centre for Molecular Science Institute of New Energy Material Chemistry Collaborative Innovation Center of Chemica lScience and Engineering (Tianjin) School of Materials Science and Engineering National Institute for Advanced Materials Nankai University Tianjin 300350 P. R. China.
authors.forename: Xu
authors.initials: X
authors.lastname: Zhang
authors.affiliation: Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry Computational Centre for Molecular Science Institute of New Energy Material Chemistry Collaborative Innovation Center of Chemica lScience and Engineering (Tianjin) School of Materials Science and Engineering National Institute for Advanced Materials Nankai University Tianjin 300350 P. R. China.
authors.forename: Xudong
authors.initials: X
authors.lastname: Zhao
authors.affiliation: Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry Computational Centre for Molecular Science Institute of New Energy Material Chemistry Collaborative Innovation Center of Chemica lScience and Engineering (Tianjin) School of Materials Science and Engineering National Institute for Advanced Materials Nankai University Tianjin 300350 P. R. China.
authors.forename: Dihua
authors.initials: D
authors.lastname: Wu
authors.affiliation: Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry Computational Centre for Molecular Science Institute of New Energy Material Chemistry Collaborative Innovation Center of Chemica lScience and Engineering (Tianjin) School of Materials Science and Engineering National Institute for Advanced Materials Nankai University Tianjin 300350 P. R. China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Jing
authors.affiliation: Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry Computational Centre for Molecular Science Institute of New Energy Material Chemistry Collaborative Innovation Center of Chemica lScience and Engineering (Tianjin) School of Materials Science and Engineering National Institute for Advanced Materials Nankai University Tianjin 300350 P. R. China.
authors.forename: Zhen
authors.initials: Z
authors.lastname: Zhou
keywords: 2D materials; MnPSe3; carrier mobility; visible light; water splitting