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学科主题: 物理化学
题名: Tuning the energy band-gap of crystalline gallium oxide to enhance photocatalytic water splitting: mixed-phase junctions
作者: Ju, Ming-Gang1, 2;  Wang, Xiang1, 4;  Liang, WanZhen1, 3;  Zhao, Yi1, 3;  Li, Can1, 4
通讯作者: WanZhenLiang ;  YiZhao ;  李灿
刊名: JOURNAL OF MATERIALS CHEMISTRY A
发表日期: 2014-10-28
DOI: 10.1039/c4ta03193h
卷: 2, 期:40, 页:17005-17014
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Energy & Fuels ;  Materials Science, Multidisciplinary
研究领域[WOS]: Chemistry ;  Energy & Fuels ;  Materials Science
英文摘要: The rational design and fabrication of mixed-phase oxide junctions is an attractive strategy for photocatalytic applications. A new tuneable alpha-beta mixed-phase Ga2O3 has recently been discovered to have high activity for photocatalytic water splitting. Here we perform a first-principles study to reveal the nature of the efficient separation of photogenerated carriers achieved by the mixed-phase Ga2O3. It is found that the strain and lattice misfit at the interface junctions significantly tune their energy bands. As the interior angles between two components change, the characteristics of the valence band-edge states can be significantly different. Through analysis of the bonding strength of the bonds near the interfaces, and the comparison of calculated and experimentally-observed carrier migration directions, we suggest a favorable junction for the efficient separation of photogenerated carriers. This junction has a type-II band alignment with a valance band of alpha-Ga2O3 that is 0.35 eV higher than that of beta-Ga2O3, and a conduction band offset of only 0.07 eV. It seems that electron migration across the phase boundary from alpha- to beta-Ga2O3 mainly follows an adiabatic electron-transfer mechanism, due to strong orbital coupling between the conduction bands of the two phase materials.
关键词[WOS]: UV-LIGHT IRRADIATION ;  HYDROGEN GENERATION ;  SOLAR-CELLS ;  THIN-FILM ;  TIO2 ;  HETEROJUNCTIONS ;  INTERFACE ;  EFFICIENT ;  COMPOSITE ;  ALIGNMENT
语种: 英语
WOS记录号: WOS:000343072300025
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/144351
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Xiamen Univ, Collaborat Innovat Ctr Chem Energy Mat, Xiamen 361005, Peoples R China
2.Univ Sci & Technol China, Dept Chem Phys, Hefei 230026, Peoples R China
3.Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Dept Chem, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China
4.Chinese Acad Sci, Dalian Natl Lab Clean Energy, State Key Lab Catalysis, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

Recommended Citation:
Ju, Ming-Gang,Wang, Xiang,Liang, WanZhen,et al. Tuning the energy band-gap of crystalline gallium oxide to enhance photocatalytic water splitting: mixed-phase junctions[J]. JOURNAL OF MATERIALS CHEMISTRY A,2014,2(40):17005-17014.
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