Ab-initio investigation of hydrogen sorption in Ti functionalized modified calix[4]pyrrole-benzene

出版年份 2020 全文链接

标题

作者

关键词

First-principles calculations, Modified Calix[4]pyrrole-benzene, Metal functionalization, van ‘t Hoff desorption temperature, Occupation number

出版物

Volume -, Issue -, Pages -

出版商

Elsevier BV

发表日期

2020-08-06

DOI

10.1016/j.ijhydene.2020.07.089

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