室温离子液体中的单电子氧还原：Butler-Volmer和对称Marcus-Hush理论的微盘电极比较研究
One electron oxygen reduction in room temperature ionic liquids: A comparative study of Butler-Volmer and Symmetric Marcus-Hush theories using microdisc electrodes
摘要：
报道了2种室温离子液体1-丁基-1-甲基吡咯烷鎓双（三氟甲基磺酰基）酰亚胺（[Bmpyrr][NTf 2]）和三己基十四烷基膦双（三氟甲基磺酰基）酰亚胺（[P14，6，6，6][NTf 2]）在微盘电极上氧还原的伏安法。用Butler-Volmer理论和对称Marcus-Hush（SMH）理论模拟的伏安图与实验数据进行了比较。Butler-Volmer理论始终提供比SMH理论更高水平的确定性的实验参数。首次推断出离子液体中氧还原的溶剂重组能值为0.4-0.5 eV，这可归因于内球重组，溶剂重组的贡献可忽略不计。所开发的Butler-Volmer和对称Marcus-Hush程序也被用来从理论上研究动力学限制稳态电流的可能性，并建立一个近似的等效关系微圆盘电极和球形电极之间的表面上休息的稳态伏安法Butler-Volmer和对称Marcus-Hush理论。
英文摘要：
The voltammetry for the reduction of oxygen at a microdisc electrode is reported in two room temperature ionic liquids: 1-butyl-1-methylpyyrolidinium bis(trifluoromethylsulfonyl) imide ([Bmpyrr][NTf2]) and trihexyltetradecylphosphonium bis9trifluoromethylsulfonyl) imide ([P14,6,6,6][NTf2]) at 298 K. Simulated voltammograms using Butler-Volmer theory and Symmetric Marcus-Hush (SMH) theory were compared with experimental data. Butler-Volmer theory consistently provided experimental parameters with a higher level of certainty than SMH theory. A value of solvent reorganisation energy for oxygen reduction in ionic liquids was inferred for the first time as 0.4-0.5 eV, which is attributable to inner-sphere reorganisation with a negligible contribution from solvent reorganisation. The developed Butler-Volmer and Symmetric Marcus-Hush programs are also used to theoretically study the possibility of kinetically limited steady state currents, and to establish an approximate equivalence relationship between microdisc electrodes and spherical electrodes resting on a surface for steady state voltammetry for both Butler-Volmer and Symmetric Marcus-Hush theory.
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