钠修饰石墨烯对H2的吸附性能研究

International Photonics and OptoElectronics Meeting 2019 (OFDA, OEDI, ISST, PE, LST, TSA) Pub Date : 2019-11-11 DOI:10.1364/isst.2019.jw4a.19

Y. Qu, Guoli Li, Haixia Chen, Jijun Ding, Hai-wei Fu

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引用次数: 0

摘要

利用密度泛函理论(DFT)研究了氢吸附在na修饰石墨烯上的电子性质和吸附机理。结果表明，氢倾向于吸附在平行结构的钠修饰石墨烯上。

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Investigation on Adsorption Properties of Na-decorated Graphene for H2

Electronic properties and adsorption mechanism of hydrogen adsorbed onto Na-decorated graphene are investigated by using Density Functional Theory (DFT). The results show that hydrogen prefer to be adsorbed on Na-decorated graphene with parallel configurations.

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来源期刊

International Photonics and OptoElectronics Meeting 2019 (OFDA, OEDI, ISST, PE, LST, TSA)

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