Graphene pillared with hybrid fullerene and nanotube as a novel 3D framework for hydrogen storage: A DFT and GCMC study
作者： Lan Bi , Jie Yin , Xin Huang , Yunhui Wang , Zhihong Yang
DOI: 10.1016/J.IJHYDENE.2020.04.227
关键词:
摘要: … adsorption which has more advantages in hydrogen storage, especially in volume adsorption. In addition, according to our DFT calculation results, the hydrogen uptake on the hybrid …
sci-hub.st 参考文章(83)
Atieh Hassani, Mohammad Taghi Hamed Mosavian, Ali Ahmadpour, Nafiseh Farhadian, Hybrid molecular simulation of methane storage inside pillared graphene Journal of Chemical Physics. ,vol. 142, pp. 234704- ,(2015) , 10.1063/1.4922541
Vinay Gupta, Peter Scharff, Katrin Risch, Henri Romanus, Rene Müller, Synthesis of C60 intercalated graphite Solid State Communications. ,vol. 131, pp. 153- 155 ,(2004) , 10.1016/J.SSC.2004.05.018
Emmanuel Tylianakis, Georgios K. Dimitrakakis, Francisco J. Martin-Martinez, Santiago Melchor, Jose A. Dobado, Emmanuel Klontzas, George E. Froudakis, Designing novel nanoporous architectures of carbon nanotubes for hydrogen storage International Journal of Hydrogen Energy. ,vol. 39, pp. 9825- 9829 ,(2014) , 10.1016/J.IJHYDENE.2014.03.011
Nahong Song, Yusheng Wang, Qiang Sun, Yu Jia, First-principles study of hydrogen storage on Ti (Sc)-decorated boron-carbon-nitride sheet Applied Surface Science. ,vol. 263, pp. 182- 186 ,(2012) , 10.1016/J.APSUSC.2012.09.024
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Ruifeng Lu, Dewei Rao, Zelin Lu, Jinchao Qian, Feng Li, Haiping Wu, Yaqi Wang, Chuanyun Xiao, Kaiming Deng, Erjun Kan, Weiqiao Deng, Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous Graphene The Journal of Physical Chemistry C. ,vol. 116, pp. 21291- 21296 ,(2012) , 10.1021/JP308195M
Yu Zhu, Lei Li, Chenguang Zhang, Gilberto Casillas, Zhengzong Sun, Zheng Yan, Gedeng Ruan, Zhiwei Peng, Abdul-Rahman O. Raji, Carter Kittrell, Robert H. Hauge, James M. Tour, A seamless three-dimensional carbon nanotube graphene hybrid material Nature Communications. ,vol. 3, pp. 1225- ,(2012) , 10.1038/NCOMMS2234
Georgios K. Dimitrakakis, Emmanuel Tylianakis, George E. Froudakis, Pillared graphene: a new 3-D network nanostructure for enhanced hydrogen storage. Nano Letters. ,vol. 8, pp. 3166- 3170 ,(2008) , 10.1021/NL801417W
Steven S. Kaye, Anne Dailly, Omar M. Yaghi, Jeffrey R. Long, Impact of preparation and handling on the hydrogen storage properties of Zn4O(1,4-benzenedicarboxylate)3 (MOF-5). Journal of the American Chemical Society. ,vol. 129, pp. 14176- 14177 ,(2007) , 10.1021/JA076877G