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Materials 2017, 10, 1399 9 of 10 Author Contributions: Yuhong Chen designed the project, Tingting Liu performed the calculations, Yuhong Chen and Tingting Liu prepared the manuscript, Haifeng Wang and Cairong Zhang revised the paper, Meiling Zhang and Lihua Yuan analyzed the data, and all authors discussed the results and commented on the manuscript. Conflicts of Interest: The authors declare no conflict of interest. References 1. Song, Y.; Guo, Z.X.; Yang, R. Influence of selected alloying elements on the stability of magnesium dihydride storage applications: A first-principles investigation. Phys. Rev. B 2004, 69, 094205. [CrossRef] 2. Schlapbach, L.; Züttel, A. Hydrogen-storage materials for mobile applications. Nature 2001, 414, 353–358. [CrossRef] [PubMed] 3. Rosi, N.L.; Eckert, J.; Eddaoudi, M.; Vodak, D.T.; Kim, J.; O’Keeffe, M.; Yaghi, O.M. Hydrogen storage in microporous metal-organic frameworks. Science 2003, 300, 1127–1129. [CrossRef] [PubMed] 4. Han, S.S.; Goddard, W.A. Lighium-doped metal-organic frameworks for reversible H2 storage at ambient temperature. J. Am. Chem. Soc. 2007, 129, 8422–8423. [CrossRef] [PubMed] 5. U.S. Department of Energy. Hydrogen, Fuel Cells Program: FY Annual Progress Report; U.S. Department of Energy: Washington, DC, USA, 2014. 6. Seenithurai, S.; Pandyan, R.K.; Kumar, S.V.; Saranya, C.; Mahendran, M. Al-decorated carbon nanotube as the molecular hydrogen storage medium. Int. J. Hydrog. Energy 2014, 39, 11990–11998. [CrossRef] 7. Wu, M.H.; Gao, Y.; Zhang, Z.Y.; Zeng, X.C. Edge-decorated graphene nanoribbons by scandium as hydrogen storage media. Nanoscale 2012, 4, 915–920. [CrossRef] [PubMed] 8. Mannix, A.J.; Zhou, X.F.; Kiraly, B.; Wood, J.D.; Alducin, D.; Myers, B.D.; Liu, X.; Fisher, B.L.; Santiago, U.; Guest, J.R.; et al. Synthesis of borophenes: Anisotropic, Two-dimensional boron polymorphs. Science 2015, 350, 1513–1516. [CrossRef] [PubMed] 9. Zhang, Z.H.; Yang, Y.; Gao, G.Y.; Yakobson, B.I. Two-Dimensional Boron Monolayers Mediated by metal Substrates. Angew. Chem. Int. Ed. Engl. 2015, 127, 13022–13026. [CrossRef] [PubMed] 10. Feng, B.J.; Zhang, J.; Zhong, Q.; Li, W.B.; Li, S.; Li, H.; Cheng, P.; Meng, S.; Chen, L.; Wu, K.H. Experimental realization of two-dimensional boron sheets. Nat. Chem. 2016, 8, 563. [CrossRef] [PubMed] 11. Feng, B.J.; Zhang, J.; Liu, R.Y.; Iimori, T.; Lian, C.; Li, H.; Chen, L.; Wu, K.H.; Meng, S.; Komori, F.; et al. Direct evidence of metallic bands in a monolayer boron sheet. Phys. Rev. B 2016, 94, 041408. [CrossRef] 12. Padilha, J.E.; Miwa, R.H.; Fazzio, A. Directional dependence of the electronic and transport properties of 2D borophene and borophane. Phys. Chem. Chem. Phys. 2016, 18, 25491–25496. [CrossRef] [PubMed] 13. Mortazavi, B.; Rahaman, O.; Dianat, A.; Rabczuk, T. Mechanical responses of borophene sheets: A first-principles study. Phys. Chem. Chem. Phys. 2016, 18, 27405. [CrossRef] [PubMed] 14. Wang, H.F.; Li, Q.F.; Gao, Y.; Miao, F.; Zhou, X.F.; Wan, X.G. Strain effects on borophene: Ideal strength, negative Possion’s ration and phonon instability. New J. Phys. 2016, 18, 073016. [CrossRef] 15. Liu, Y.; Dong, Y.J.; Tang, Z.; Wang, X.F.; Wang, L.; Hou, T.G.; Lin, H.P.; Li, Y.Y. Stable and metallic borophene nanoribbons from first-principles calculations. J. Mater. Chem. C 2016, 4, 6380–6385. [CrossRef] 16. Novoselov, K.S.; Geim, A.K.; Morozov, S.V.; Jiang, D.; Zhang, Y.; Dubonos, S.V.; Grigorieva, I.V.; Firsov, A.A. Electric field effect in atomically thin carbon films. Science 2004, 306, 666–669. [CrossRef] [PubMed] 17. Chen, X.F.; Wang, L.; Zhang, W.T.; Zhang, J.L.; Yuan, Y.Q. Ca-decorated borophene as potential candidates for hydrogen storage: A first-principle study. Int. J. Hydrog. Energy 2017, 42, 20036–20045. [CrossRef] 18. Wang, Y.H.; Meng, Z.S.; Liu, Y.Z.; You, D.; Wu, K.; Lv, J.; Wang, X.Z.; Deng, K.M.; Rao, D.; Lu, R.F. Lithium decoration of three dimensional boron-doped graphene frameworks for high-capacity storage. Appl. Phys. Lett. 2015, 106, 2721. [CrossRef] 19. Reunchan, P.; Jhi, S.H. Metal-dispersed porous graphene for hydrogen storage. Appl. Phys. Lett. 2011, 98, 93103. [CrossRef] 20. Ao, Z.M.; Jiang, Q.; Zhang, R.Q.; Tan, T.T.; Li, S. Al doped graphene: A promising material for hydrogen storage at room temperature. J. Appl. Phys. 2009, 105, 074307. [CrossRef] 21. Faye, O.; Eduok, U.; Szpunar, J.; Szpunar, B.; Samoura, A.; Beye, A. Hydrogen Storage on bare Cu atom and Cu-functionalized boron-doped graphene: A first principles study. Int. J. Hydrog. Energy 2017, 42, 4233–4243. [CrossRef]PDF Image | Li-Decorated Borophene as Potentia for Hydrogen Storage
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