TiO2禁带宽度和光吸收系数对其光催化性能的影响

刘子传; 郑经堂; 赵东风; 吴明铂

doi:10.3788/fgxb20123312.1329

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TiO₂禁带宽度和光吸收系数对其光催化性能的影响

器件制备及器件物理 | 更新时间：2020-08-12

- TiO₂禁带宽度和光吸收系数对其光催化性能的影响
- Effects of Forbidden Bandwidth and Optical Absorption Coeffcient on Photocatalytic Ability of TiO₂
- 发光学报 2012年33卷第12期页码：1329-1334
- 作者机构：
  
  中国石油大学(华东)重质油国家重点实验室,山东青岛,266580
- 作者简介：
- 基金信息：
  
  国家自然科学基金(20776159,21176260)();山东省自然科学基金(ZR2009FL028)();中央高校基本科研业务专项资金(09CX05009A)资助项
- DOI：10.3788/fgxb20123312.1329
  中图分类号： TQ426;X505
- 纸质出版日期：2012-12-10，
  
  收稿日期：2012-8-9，
  
  修回日期：2012-10-29，
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刘子传, 郑经堂, 赵东风, 吴明铂. TiO2禁带宽度和光吸收系数对其光催化性能的影响[J]. 发光学报, 2012,33(12): 1329-1334

LIU Zi-chuan, ZHENG Jing-tang, ZHAO Dong-feng, WU Ming-bo. Effects of Forbidden Bandwidth and Optical Absorption Coeffcient on Photocatalytic Ability of TiO2[J]. Chinese Journal of Luminescence, 2012,33(12): 1329-1334
刘子传, 郑经堂, 赵东风, 吴明铂. TiO2禁带宽度和光吸收系数对其光催化性能的影响[J]. 发光学报, 2012,33(12): 1329-1334 DOI： 10.3788/fgxb20123312.1329.

LIU Zi-chuan, ZHENG Jing-tang, ZHAO Dong-feng, WU Ming-bo. Effects of Forbidden Bandwidth and Optical Absorption Coeffcient on Photocatalytic Ability of TiO2[J]. Chinese Journal of Luminescence, 2012,33(12): 1329-1334 DOI： 10.3788/fgxb20123312.1329.

摘要

为了研究TiO

禁带宽度和光吸收系数对其光催化性能的影响

使用Materials Studio的Dmol3和CASTEP模块分别对Ag

、Fe

、Pt

、La

4种金属离子掺杂TiO

的能带结构和光学性质进行分析。分子模拟表明:金属离子掺杂使TiO

的禁带宽度变窄、吸收波长红移

相同光照条件下光吸收系数增加

影响了TiO

的光催化性能。光催化反应实验表明:在254 nm照射条件下

TiO

的禁带宽度为1.09 eV时光催化性能最好

TiO

的光吸收系数越大

光催化性能越好。

Abstract

The effects of band structure and optical properties of TiO

doped Ag

ions were analyzed by using Materials Studio. The molecular simulation shows that metallic ion doping can make the forbidden bandwidth of TiO

narrow

the absorption wavelength of TiO

red-shift

and the optical absorption coefficient increase in the same light condition. The changes affect the photocatalytic ability of TiO

. Under 254 nm UV light

TiO

shows the best photocatalytic ability when the forbidden bandwidth is 1.09 eV

and the higher optical absorption coefficient.

关键词

TiO2分子模拟禁带宽度光吸收系数金属离子掺杂

Keywords

TiO2molecular simulationforbidden bandwidthoptical absorption coefficientmetallic ion doping

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