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标题：Graphyne-3: a highly efficient candidate for separation of small gas molecules from gaseous mixtures
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作者：Khatereh Azizi ; S. Mehdi Vaez Allaei ; Arman Fathizadeh 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2021
卷号：11
DOI：10.1038/s41598-021-95304-z
语种：English
出版社：Springer Nature
摘要：Two-dimensional nanosheets, such as the general family of graphenes have attracted considerable attention over the past decade, due to their excellent thermal, mechanical, and electrical properties. We report on the result of a study of separation of gaseous mixtures by a model graphyne-3 membrane, using extensive molecular dynamics simulations and density functional theory. Four binary and one ternary mixtures of H \documentclass[12pt