Electron Transfer: Basic Theory, Experiments and Computational Methods
Non-adiabatic electron transfer is one of the simplest but very important chemical reactions. After decades of research, it is still a fast developing field and an introductory review to cover both basic theory and state-of-the-art research methodology is needed. This manuscript is written for this purpose and it starts with a brief introduction to the field in Section 1. The basic electron transfer theory, including the mechanism of long-range charge transfer, is discussed in Section 2. Experimental methods to measure electron transfer (in terms of either rate constants or conductances) are summarized in Section 3. In Section 4, various computational methods to calculate Marcus parameters such as GMH, FCD and NEGF formulism are explained as self-contained as possible. Finally, the manuscript concludes in Section 5 with thoughts about the future development of this field.
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Document Type: Review Article
Publication date: 01 December 2015
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