作者darien ( 毛茸茸)
看板Chemistry
标题[学科] 由Cyclic Voltammetry算LUMO
时间Thu Sep 29 21:23:58 2016
https://www.dropbox.com/s/3awzrp3h45k6yzc/CV%2C%20LUMO.pptx?dl=0
各位前辈晚安
读以下这篇paper的supporting information时不太了解他的计算
Advanced Material DOI: 10.1002/adma.201602923
兹列简单数据如下
从这样的cyclic voltammetry的数据
如何得到E_LUMO的呢?
Redox potential [V]
(E_1/2)^1 (E_1/2)^2 E_LUMO [eV]
Sample -0.47 -0.66
-4.00
注:
1. Half-wave potentials calculated from CV by (E_1/2)^n = [(Epc)^n+(Epa)^n]/2
referred to internal Fc/Fc+ couple at 0.54 V).
Obtained from CV: E_LUMO = -4.44-(E_onset)^red-1.
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※ 编辑: darien (140.112.25.121), 09/29/2016 21:25:02
※ 编辑: darien (140.112.25.121), 09/30/2016 00:44:56