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实验可视化研究镓锌氧氮化物光催化剂（Ga(1-x)Znx)(N(1-x)Ox）中的共价键和结构无序：可见光吸收的起源。

Experimental visualization of covalent bonds and structural disorder in a gallium zinc oxynitride photocatalyst (Ga(1-x)Znx)(N(1-x)Ox): origin of visible light absorption.

机构信息

Department of Materials Science and Engineering, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Nagatsuta-cho 4259-J2-61, Midori-ku, Yokohama-shi, 226-8502, Japan.

出版信息

Chem Commun (Camb). 2010 Apr 14;46(14):2379-81. doi: 10.1039/b922008a. Epub 2010 Mar 5.

DOI:10.1039/b922008a
PMID:20309458
Abstract

We present the experimental visualization of covalent bonding, positional disorders and split anion sites in visible-light responsive photocatalyst (Ga(0.885)Zn(0.115))(N(0.885)O(0.115)). ZnO alloying into GaN reduces the band gap, leading to the visible-light response. DFT calculations indicated no significant difference in band gap between structural models with and without split sites.

摘要

我们展示了可见光响应光催化剂 (Ga(0.885)Zn(0.115))(N(0.885)O(0.115)) 中共价键、位置无序和分裂阴离子位的实验可视化。ZnO 与 GaN 合金化可减小带隙，从而实现可见光响应。DFT 计算表明，具有和不具有分裂位的结构模型之间的带隙没有显著差异。

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