title: Visible-Light-Responsive Chalcogenide Photocatalyst Ba2ZnSe3: Crystal and Electronic Structure, Thermal, Optical, and Photocatalytic Activity.
abstract: Visible-light-responsive photocatalytic materials have important applications. In this article, through inserting electropositive ion Ba2+into the three-dimensional framework of ZnSe, a one-dimensional chalcogenide Ba2ZnSe3has been obtained by traditional solid-state reaction. It crystallizes in orthorhombic centrosymmetric space group Pnma with unit cell parameters of a = 9.0744(2) Å, b = 4.4229(1) Å, c = 17.6308(4) Å, and Z = 4. Its structure features [ZnSe3]4-anionic straight chains parallel to the b direction, which are further separated by Ba2+cations filling in the cavities. On the basis of the UV-vis-NIR diffuse reflectance spectroscopy, Ba2ZnSe3possesses a typical direct band gap of 2.75 eV, which is in good agreement with the electronic structure calculation. Moreover, Ba2ZnSe3shows good visible-light-responsive photocatalytic activity and excellent thermal stability and cyclability, which are favorable for its application.
authors.affiliation: University of Chinese Academy of Sciences , Beijing 100049, People's Republic of China.
authors.forename: Molin
authors.initials: M
authors.lastname: Zhou
authors.affiliation: Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences , Beijing 100083, People's Republic of China.
authors.forename: Ke
authors.initials: K
authors.lastname: Xiao
authors.affiliation: University of Chinese Academy of Sciences , Beijing 100049, People's Republic of China.
authors.forename: Xingxing
authors.initials: X
authors.lastname: Jiang
authors.affiliation: Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences , Beijing 100083, People's Republic of China.
authors.forename: Hongwei
authors.initials: H
authors.lastname: Huang
authors.forename: Zheshuai
authors.initials: Z
authors.lastname: Lin
authors.forename: Jiyong
authors.identifier: http://orcid.org/0000-0002-4802-5093
authors.initials: J
authors.lastname: Yao
authors.forename: Yicheng
authors.initials: Y
authors.lastname: Wu