Electronic structure and visible light photocatalysis water splitting property of chromium-doped SrTiO3
Electronic structure and visible light photocatalysis water splitting property of chromium-doped SrTiO3
复制标题
铬掺杂SrTiO3的电子结构及可见光光催化分解水性能
DOI：
10.1016/j.jssc.2006.08.014
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发表时间：
2006-12-01
影响因子：
3.3
通讯作者：
Zhang, Z. G.
中科院分区：
文献类型：
--
作者：
Liu, J. W.;Chen, G.;Zhang, Z. G.
采用溶剂热法制备了掺杂cr的SrTi1-xCrxO3 （x = 0.00, 0.02, 0.05, 0.10）粉体，并用紫外可见吸收光谱对其进行了表征。紫外-可见光谱表明，SrTi1-xCrxO3粉末不仅可以像纯SrTiO3粉末一样吸收紫外光，而且可以吸收可见光光谱（λ > 420 nm）。密度泛函理论（DFT）计算结果表明，SrTi1-xCrxO3催化剂的可见光吸收带是由Cr 3d到Cr 3d+ Ti 3d杂化轨道的能带跃迁引起的。随着铬掺杂量的增加，SrTiO3在紫外和可见光下的光催化活性均有所提高。(c) 2006爱思唯尔公司版权所有。
Cr-doped SrTi1-xCrxO3 (x = 0.00, 0.02, 0.05, 0.10) powders, prepared by solvothermal method, were further characterized by ultraviolet visible (UV-vis) absorption spectroscopy. The UV-vis spectra indicate that the SrTi1-xCrxO3 powders can absorb not only UV light like pure SrTiO3 powder but also the visible-light spectrum (lambda > 420 nm). The results of density functional theory (DFT) calculation illuminate that the visible-light absorption bands in the SrTi1-xCrxO3 catalyst are attributed to the band transition from the Cr 3d to the Cr 3d+ Ti 3d hybrid orbital. The photocatalytic activities of chromium-doped SrTiO3 both under UV and visible light are increased with the increase in the amounts of chromium. (c) 2006 Elsevier Inc. All rights reserved.