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Li adsorption on nitrogen-substituted graphyne for hydrogen storage
Fullerenes, Nanotubes and Carbon Nanostructures ( IF 2.1 ) Pub Date : 2020-10-08 , DOI: 10.1080/1536383x.2020.1830066
Juan Ren 1 , Ningchao Zhang 2 , Pingping Liu 3
Affiliation  

The adsorptions of hydrogen on Li-decorated nitrogen-substituted graphyne are investigated by density functional theory. The substitutional doping of nitrogen atoms can change the electronic struct...

中文翻译:

用于储氢的氮取代石墨炔上的锂吸附

通过密度泛函理论研究了氢在锂装饰的氮取代石墨炔上的吸附。氮原子的置换掺杂可以改变电子结构...
更新日期:2020-10-08
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