Reversible hydrogen adsorption in Li functionalized [1,1]paracyclophane

标题

作者

关键词

Hydrogen adsorption, Density functional theory, CHELPG analysis, Born-oppenheimer molecular dynamics, [1,1]paracyclophane

出版物

Volume 45, Issue 23, Pages 12940-12948

出版商

Elsevier BV

发表日期

2020-04-01

DOI

10.1016/j.ijhydene.2020.03.009

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