The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid
文献类型：期刊论文
| 作者 | Zhang JY(张俊彦) ; Zhang JY(张俊彦)
|
| 刊名 | Electrochemistry Communications
 |
| 出版日期 | 2009 |
| 卷号 | 11页码:331-334 |
| 关键词 | Electrochemical reduction mechanism GGA/PW91 calculation Trivalent chromium Geometric structure |
| ISSN号 | 1388-2481 |
| 通讯作者 | 张俊彦 |
| 中文摘要 | The electrochemical reduction process of trivalent Cr in the presence of formic acid is studied. The com- positions of Cr complexes in electrolytes and products on cathode are investigated using ultraviolet– visible absorption spectroscopy (UV–Vis) and X-ray photoelectron spectroscopy (XPS), respectively. The geometric structures of the original and transition state ions during the electroreduction process are optimized, using density functional theory with General Gradient Approximation/Perdew-Wang 91 (GGA/PW91) calculation. The trivalent Cr primarily exists in the form of [Cr(H2O)6] 3+ in the solution. [Cr(H2O)6] 3+ exhibits regular-octahedron structure which is unfavorable for center Cr 3+ to contact catho- dic electrons. In the presence of formic acid, formate ion promotes the formation of the reactive interme- diate, [Cr(H2O)4CHOO] 2+, which possesses irregular-octahedron structure with Cr 3+ ion as a vertex. In this case, Cr 3+ ion can contact the cathode and then obtain electrons easily. |
| 学科主题 | 材料科学与物理化学 |
| 收录类别 | SCI |
| 资助信息 | the “Hundreds Talent Program” of the Chinese Academy of Sciences;the Innovative Group Foundation from NSFC (Grant No. 50721062) |
| 语种 | 英语 |
| WOS记录号 | WOS:000263455600024 |
| 公开日期 | 2012-11-13 |
| 源URL | [http://210.77.64.217/handle/362003/2041]  |
| 专题 | 兰州化学物理研究所_固体润滑国家重点实验室 |
| 通讯作者 | Zhang JY(张俊彦); Zhang JY(张俊彦) |
| 推荐引用方式 GB/T 7714 | Zhang JY,Zhang JY. The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid[J]. Electrochemistry Communications,2009,11:331-334. |
| APA | 张俊彦,&张俊彦.(2009).The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid.Electrochemistry Communications,11,331-334. |
| MLA | 张俊彦,et al."The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid".Electrochemistry Communications 11(2009):331-334. |
入库方式： OAI收割
来源：兰州化学物理研究所
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