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4-氨基苯硫酚在金电极上电化学转变过程的表面增强拉曼光谱及其理论研究 被引量:5
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作者 孙如 李淑瑾 +1 位作者 姚建林 顾仁敖 《化学学报》 SCIE CAS CSCD 北大核心 2007年第17期1741-1745,共5页
采用循环伏安法和表面增强拉曼散射现场研究了酸性溶液中4-氨基苯硫酚(PATP)在金电极表面的电化学转变过程,并结合密度泛函理论(DFT)对光谱进行了指认,由此确定电极表面的最终产物.研究结果表明,PATP分子在电极表面首先氧化为阳离子自由... 采用循环伏安法和表面增强拉曼散射现场研究了酸性溶液中4-氨基苯硫酚(PATP)在金电极表面的电化学转变过程,并结合密度泛函理论(DFT)对光谱进行了指认,由此确定电极表面的最终产物.研究结果表明,PATP分子在电极表面首先氧化为阳离子自由基,该自由基与邻近的分子通过头尾相接生成二聚体4'-巯基-N-苯基苯醌二亚胺,随后发生水解反应生成4'-巯基-N-苯基苯醌单亚胺.用DFT在B3LYP/6-311+G**(C,N,S,H)/LANL2DZ(Au)水平上计算模拟4'-巯基-N-苯基苯醌二亚胺在金表面的拉曼光谱,结果与所获得的表面拉曼光谱较好吻合,平均相对偏差约为2.1%. 展开更多
关键词 表面增强拉曼光谱 密度泛函理论 4-氨基苯硫酚 电化学转变 金电极
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Synthesis and properties of single-crystal Ni-rich cathode materials in Li-ion batteries 被引量:11
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作者 Shi-jie LU Yang LIU +4 位作者 Zhen-jiang HE Yun-jiao LI Jun-chao ZHENG Jing MAO Ke-hua DAI 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2021年第4期1074-1086,共13页
Single-crystal Ni-rich cathode material LiNi0.88Co0.09Al0.03O2(SC) was synthesized by a high-temperature solid-state calcination method. Physicochemical properties of primary and delithiated SC samples were investigat... Single-crystal Ni-rich cathode material LiNi0.88Co0.09Al0.03O2(SC) was synthesized by a high-temperature solid-state calcination method. Physicochemical properties of primary and delithiated SC samples were investigated by X-ray diffractometry, X-ray photoelectron spectroscopy, and transmission electron microscopy. Electrochemical performance was characterized by long-term cycling, cyclic voltammetry, and in-situ impedance spectroscopy. The results indicated that high temperature rendered layered oxides to lose lithium/oxygen in the interior and exterior, and induced cationic disordering. Besides, the solid-phase synthesis process promoted phase transformation for electrode materials, causing the coexisting multi-phase in a single particle. High temperature can foster the growth of single particles, but it caused unstable structure of layered phase. 展开更多
关键词 lithium-ion battery cathode material SINGLE-CRYSTAL electrochemical performance phase transformation
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