Mo- and N-doped BiNbO(4) for photocatalysis applications
Mo- and N-doped BiNbO(4) for photocatalysis applications
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DOI：
10.1063/1.3622659
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发表时间：
2011-08
影响因子：
4
通讯作者：
J. Nisar;Baochang Wang;Biswarup Pathak;T. Kang;R. Ahuja
中科院分区：
文献类型：
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作者：
J. Nisar;Baochang Wang;Biswarup Pathak;T. Kang;R. Ahuja
纯BiNbO 4的电子结构已被计算和它们的电子能带位置已对齐相对于水的氧化/还原电位。研究了阳离子（Mo）、阴离子（N）和共掺杂（Mo-N）对BiNbO 4的影响，并与标准氧化还原电位水平进行了讨论。我们的研究结果表明，钼和氮的共掺杂BiNbO 4的带隙降低到31.8%，从而使其成为一个潜在的候选人的水制氢的催化剂。单掺杂和共掺杂BiNbO 4材料之间的相对稳定性表明，与单掺杂材料相比，共掺杂材料更稳定和可行。
The electronic structure of pure BiNbO4 has been calculated and their electronic band positions have been aligned with respect to the water oxidation/reduction potential. The effect of cationic (Mo), anionic (N), and co-doping (Mo-N) on BiNbO4 has been studied and discussed with respect to the standard redox potential levels. Our results show that co-doping of Mo and N in BiNbO4 reduces the band gap up to 31.8%, thus making it a potential candidate for the photocatalysis of water for hydrogen production. The relative stability between the mono- and co-doped BiNbO4 materials show that co-doped material is more stable and feasible in comparison to the mono-doped materials.