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|Title:||H₂ purification by functionalized graphdiyne-role of nitrogen doping|
|Other Titles:||H(2) purification by functionalized graphdiyne-role of nitrogen doping|
|Citation:||Journal of Materials Chemistry A, 2015; 3(13):6767-6771|
|Publisher:||Royal Society of Chemistry|
|Yan Jiao, Aijun Du, Sean C. Smith, Zhonghua Zhu, and Shi Zhang Qiao|
|Abstract:||A nitrogen modified graphdiyne is investigated concerning its performance for hydrogen purification from CH₄, and CO by density functional theory with dispersion correction and transition state theory. After nitrogen doping, the porous N-graphdiyne nano-mesh shows a reduced H₂, diffusion barrier and increased CH₄/CO diffusion barriers, hence leading to an enhanced hydrogen purification capability|
|Rights:||This journal is © The Royal Society of Chemistry 201|
|Appears in Collections:||Chemical Engineering publications|
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