Optimizing photoelectrochemical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>TiO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>by chemical codoping
Peng WangDepartment of Physics, Tsinghua University, Beijing 100084, People’s Republic of ChinaZhirong LiuCollege of Chemistry and Molecular Engineering, Peking University, Beijing 100871, People’s Republic of ChinaFeng LinDepartment of Physics, Tsinghua University, Beijing 100084, People’s Republic of ChinaGang ZhouDepartment of Physics, Tsinghua University, Beijing 100084, People’s Republic of ChinaJian WuDepartment of Physics, Tsinghua University, Beijing 100084, People’s Republic of ChinaWenhui DuanDepartment of Physics, Tsinghua University, Beijing 100084, People’s Republic of ChinaBing-Lin GuDepartment of Physics, Tsinghua University, Beijing 100084, People’s Republic of ChinaShengbai ZhangDepartment of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, USA
2010lv
ABI
Аннотация
First-principles calculations reveal potentially optimal photoelectrochemical activity of anatase ${\text{TiO}}_{2}$ by means of (C, S), (C, Se), or (N, P) codoping. It is found that the absorption edge is substantially redshifted to visible regime with overall spectra considerably better than monodoped ${\text{TiO}}_{2}$. The resulting optical gap straddle the redox potentials of ${\text{H}}_{2}\text{O}$ remarkably well. The reason for the significant improvements is the direct chemical bonding between the codopants. We expect this generic band-structure tailoring scheme also applies to other photocatalytic systems and beyond.
Перевод пока недоступен
Идентификаторы
Цитирования и источники
Цитирований: 2Использованных источников: 0