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oulihui666至尊木虫 (职业作家)
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【分享】Modeling Electrocatalytic Reaction Systems from First Principles
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Modeling Electrocatalytic Reaction Systems from First Principles 作者：SALLY A. WASILESKI, CHRISTOPHER D. TAYLOR, AND MATTHEW NEUROCK(美国弗吉尼亚大学：化工系教授 (催化机理)，学术带 头人) Electrocatalytic reaction systems demonstrate markedly different behavior than those carried out in the vapor phase or under ultrahigh vacuumconditions. The differences in reactivity can be attributed to the significant difference between the reaction environment of the electrocatalytic system which includes the presence of solution, electrolyte, and intrinsic as well as extrinsic potentials, in addition to the vapor phase system. The solution environment and the applied potential can stabilize or destabilize charge transfer events, thus influencing many of the physicochemical processes that occur at the surface of a working electrode and strongly impacting the activity, as well as the selectivity of the active catalyst. 本文出自一本书的一个章节，主要讲述了使用第一性原理模拟电催化反应体系，文章中详细叙述了水结构模型和电势的考虑对电催化反应历程的影响，并且给出了具体的举例说明。 回帖评分是一种美德，感谢给我评分的各位！ http://www.namipan.com/d/6289991 ... 0755d75bd6cc2211000 http://www.namipan.com/d/6289991b8d0a21f6065d3788335a80755d75bd6cc2211000 [ Last edited by mingdong on 2009-12-9 at 08:17 ] |
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