Adelaide Research & Scholarship
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https://hdl.handle.net/2440/97980
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| Type: | Journal article |
| Title: | H₂ purification by functionalized graphdiyne-role of nitrogen doping |
| Other Titles: | H(2) purification by functionalized graphdiyne-role of nitrogen doping |
| Author: | Jiao, Y. Du, A. Smith, S. Zhu, Z. Qiao, S. |
| Citation: | Journal of Materials Chemistry A, 2015; 3(13):6767-6771 |
| Publisher: | Royal Society of Chemistry |
| Issue Date: | 2015 |
| ISSN: | 2050-7488 2050-7496 |
| Statement of Responsibility: | 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 |
| DOI: | 10.1039/c5ta01062d |
| Grant ID: | ARC |
| Appears in Collections: | Aurora harvest 7 Chemical Engineering publications |
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