Lithium‐Doped Conjugated Microporous Polymers for Reversible Hydrogen Storage

Angewandte Chemie - International Edition - Tập 49 Số 19 - Trang 3330-3333 - 2010
An Li1, Ruifeng Lu1, Yi Wang1, Xin Wang1, Keli Han2, Wei Deng2
1Nanyang Technological University, CBC and CBE, 50 Nanyang Drive, Singapore 639798 (Singapore)
2State Key Lab of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China) http://www.nmce.dicp.ac.cn/

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Polymer Builder module of the Material Studio program. The GCMC calculations were carried out using the sorption module of the Materials Studio program (Accelrys San Diego) with the FF described in the Supporting Information.