Methyllithium‐Doped Naphthyl‐Containing Conjugated Microporous Polymer with Enhanced Hydrogen Storage Performance |
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| Authors: | Dr Dan Xu Dr Lei Sun Dr Gang Li Dr Jin Shang Rui‐Xia Yang Prof Wei‐Qiao Deng |
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| Affiliation: | 1. State Key Lab of Molecular Reaction Dynamics, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, P.R. China;2. Jiangsu Key Laboratory of Advanced Functional Polymer Design and Application, Department of Polymer Science and Engineering, College of Chemistry Chemical Engineering and Materials Science, Soochow University, Suzhou, P.R. China;3. School of Mechanical & Chemical Engineering, University of Western Australia, Crawley WA, Australia;4. Department of Chemical and Biomolecular Engineering, University of Melbourne, Victoria, Australia;5. http://mdsd.dicp.ac.cn/ |
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| Abstract: | Hydrogen storage is a primary challenge for using hydrogen as a fuel. With ideal hydrogen storage kinetics, the weak binding strength of hydrogen to sorbents is the key barrier to obtain decent hydrogen storage performance. Here, we reported the rational synthesis of a methyllithium‐doped naphthyl‐containing conjugated microporous polymer with exceptional binding strength of hydrogen to the polymer guided by theoretical simulations. Meanwhile, the experimental results showed that isosteric heat can reach up to 8.4 kJ mol?1 and the methyllithium‐doped naphthyl‐containing conjugated microporous polymer exhibited an enhanced hydrogen storage performance with 150 % enhancement compared with its counterpart naphthyl‐containing conjugated microporous polymer. These results indicate that this strategy provides a direction for design and synthesis of new materials that meet the US Department of Energy (DOE) hydrogen storage target. |
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| Keywords: | doping hydrogen microporous materials polymers quantum chemistry |
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