Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment

被引：61

作者：

Walsh, Aron ^{[1
]}

Ahn, Kwang-Soon ^{[2
]}

Shet, Sudhakar ^{[1
]}

Huda, Muhammad N. ^{[1
]}

Deutsch, Todd G. ^{[1
]}

Wang, Heli ^{[1
]}

Turner, John A. ^{[1
]}

Wei, Su-Huai ^{[1
]}

Yan, Yanfa ^{[1
]}

Al-Jassim, Mowafak M. ^{[1
]}

机构：

[1] Natl Renewable Energy Lab, Golden, CO 80401 USA

[2] Yeungnam Univ, Sch Display & Chem Engn, Kyungsan 712749, South Korea

来源：

ENERGY & ENVIRONMENTAL SCIENCE | 2009年 / 2卷 / 07期

关键词：

TOTAL-ENERGY CALCULATIONS; ELECTRONIC-STRUCTURE; INTRINSIC DEFECTS; WATER; TRANSPARENT; BIVO4; FILMS; COAL2O4; PHOTOELECTROLYSIS; SEMICONDUCTORS;

D O I：

10.1039/b822903a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Discovery of a chemically stable, light absorbing and low resistivity metal oxide with band edges aligned to the water redox potentials has been a goal of physical scientists for the past forty years. Despite an immense amount of effort, no solution has been uncovered. We present a combined theoretical and experimental exploration of a series of unconventional ternary cobalt spinel oxides, which offer chemical functionality through substitution on the octahedral spinel B site. First-principles predictions of the substitution of group 13 cations (Al, Ga, In) in Co3O4 to form a series of homologous CoX2O4 spinel compounds are combined with experimental synthesis and photoelectrochemical characterization. Ultimately, while tunable band gaps in the visible range can be obtained, the material performance is limited by poor carrier transport properties associated with small polaron carriers. Future design pathways for metal oxide exploration are discussed.

引用

页码：774 / 782

页数：9

共 78 条

[21] NONSTOICHIOMETRY AND ELECTRONIC DEFECTS IN CO2SIO4 AND IN COAL2O4-MGAL2O4 CRYSTALLINE SOLUTIONS [J].