Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments
- 作者: Petrov A.1, Semenov K.1, Murin I.1
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隶属关系:
- St. Petersburg State University
- 期: 卷 88, 编号 3 (2018)
- 页面: 610-612
- 栏目: Letters to the Editor
- URL: https://journals.rcsi.science/1070-3632/article/view/222111
- DOI: https://doi.org/10.1134/S1070363218030374
- ID: 222111
如何引用文章
详细
The electronic structure of fullerene C60 derivatives containing malonic acid fragments used as dopants in nanocomposite polymer electrolytic membranes was calculated by the density functional method. Charge states of atoms, thus determined, are necessary for molecular-dynamic simulation of proton mobility in these membranes.
作者简介
A. Petrov
St. Petersburg State University
编辑信件的主要联系方式.
Email: a.petrov@spbu.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034
K. Semenov
St. Petersburg State University
Email: a.petrov@spbu.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034
I. Murin
St. Petersburg State University
Email: a.petrov@spbu.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034