采用固相法制备了Cr掺杂的光催化剂Sm2InNbO7,通过XRD、BET、UV-Vis DRS等测试手段对催化剂的晶体结构、比表面积以及漫反射光谱进行了表征;基于密度泛函理论,采用Castep软件,计算了Cr掺杂Sm2InNbO7前后的能带结构和态密度；以甲醇为电子给体,在可见光照射下研究了Cr掺杂Sm2InNbO7光催化分解水的析氢活性.结果表明,Cr对Sm2InNbO7的适量掺杂不会改变原晶体的结构,Cr的掺杂拓展了Sm2InNbO7的可见光响应范围,可有助于改善其可见光分解水的析氢活性；Cr的掺杂量存在一个最佳值为:nCr/(nIn+nCr)=2％,此时Cr掺杂的光催化剂Sm2InNbO7的催化活性最高.%Cr-doped Sm2InNb07 samples were synthesized by a solid-state reaction method. XRD, BET and UV-Vis DRS were used to characterize and analyzed the crystalstructure, specific surface area and diffuse reflectance spectra, respectively. Band structure and state density of Sm2InNbO7 and Cr-doped Sm2InNb07 were calculated by Castep based on density functional theory (DFT).The photocatalytic activities of Cr-doped Sm2InNb07 for water splitting were investigated with CH3OH as electron donor under visible light irradiation. The results indicate that doping with Cr don't change its structure, and expand its visible-light-driven region. The photocatalytic activity of Sm2InNb07 for water splitting under visible light irradiation is improved in appropriate doping concentration. When the optimum doping concentration of Cr is found to be 2% [rco/fat+flcr]]* the photocatalytic activities of Cr-doped Sm2InNbO7 for water splitting is the highest.
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