Adsorption and Reaction Branching of Molecular Carbonates on Lithiated C(0001) Substrates
Adsorption and Reaction Branching of Molecular Carbonates on Lithiated C(0001) Substrates
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碳酸盐分子在锂化 C(0001) 基底上的吸附和反应支化
DOI：
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
J. Reutt
中科院分区：
文献类型：
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作者：
Wentao Song;S. Bharath;J. Reutt
采用程序升温脱附（TPD）和程序升温反应（TPR）方法研究了碳酸乙烯酯（EC）和碳酸二甲酯（DMC）在超高真空条件下与清洁石墨和锂化石墨基体的脱附和相互作用。EC和DMC与清洁的C（0001）表面的相互作用较弱，吸附能分别为0.60 ± 0.06和0.64 ± 0.05 eV。添加Li+到C（0001）衬底显著增加分子碳酸盐的结合能，并且测量值的范围指示锂离子的EC溶剂化。EC在金属Li膜上完全分解。有机锂产物通过TPR定量，碳酸锂产物的量通过详细的质量平衡分析确定。1.5 L EC的分解导致形成0.64 ± 0.12 L乙二醇锂、0.40 ± 0.05 L乙二醇锂和0.5 ± 0.2 L碳酸锂。在直接EC-金属锂界面处的分支比…
The desorption and interactions of ethylene carbonate (EC) and dimethyl carbonate (DMC) with clean and lithiated graphite substrates were measured by temperature-programmed desorption (TPD) and reaction (TPR) methods under UHV conditions. Both EC and DMC interact weakly with the clean C(0001) surface with adsorption energies of 0.60 ± 0.06 and 0.64 ± 0.05 eV, respectively. Addition of Li+ to the C(0001) substrate significantly increases the binding energies of molecular carbonates, and the range of measured values is indicative of EC solvation of lithium ions. EC undergoes complete decomposition on metallic Li films. Organolithium products were quantified by TPR, and the amount of lithium carbonate product was determined by detailed mass balance analysis. Decomposition of 1.5 L of EC resulted in the formation of 0.64 ± 0.12 L of lithium ethylene dicarbonate, 0.40 ± 0.05 L of lithium ethylene glycolate, and 0.5 ± 0.2 L of lithium carbonate. The branching ratio at the immediate EC–metallic lithium interface...