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The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid
Department固体润滑国家重点实验室
Ceng ZX(曾志翔); Sun YL(孙亚玲); Zhang JY(张俊彦)
2009
Source PublicationElectrochemistry Communications
ISSN1388-2481
Volume11Pages:331-334
AbstractThe 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.
KeywordElectrochemical Reduction Mechanism Gga/pw91 Calculation Trivalent Chromium Geometric Structure
Subject Area材料科学与物理化学
Funding Organizationthe “Hundreds Talent Program” of the Chinese Academy of Sciences;the Innovative Group Foundation from NSFC (Grant No. 50721062)
Indexed BySCI
Language英语
Funding Project纳米润滑研究组
Citation statistics
Cited Times:83[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.licp.cn/handle/362003/2041
Collection固体润滑国家重点实验室(LSL)
Corresponding AuthorZhang JY(张俊彦)
Recommended Citation
GB/T 7714
Ceng ZX,Sun YL,Zhang JY. The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid[J]. Electrochemistry Communications,2009,11:331-334.
APA 曾志翔,孙亚玲,&张俊彦.(2009).The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid.Electrochemistry Communications,11,331-334.
MLA 曾志翔,et al."The electrochemical reduction mechanism of trivalent chromium in the presence of formic acid".Electrochemistry Communications 11(2009):331-334.
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