High hydrogen-storage capacity of B-adsorbed graphene: First-principles calculation

Solid State Communications

Volumn 152, Issue 5, 2012, Pages 386-389

  Li, Jianfu ^a   Wang, Xiaoli ^a,b   Liu, Kai ^a   Sun, Yuanyuan ^a   Chen, Li ^a  

^a LINYI UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

A. Boron adsorbed graphene; A. Hydrogenous storage materials; B. Density functional calculation

Indexed keywords

A. HYDROGENOUS STORAGE MATERIALS; ADSORBED SYSTEM; ADSORPTION ENERGIES; AMBIENT CONDITIONS; B ATOMS; B. DENSITY FUNCTIONAL CALCULATION; ELECTRON DISTRIBUTIONS; FIRST-PRINCIPLES CALCULATION; HYDROGEN STORAGE CAPACITIES; US DEPARTMENT OF ENERGY;

ADSORPTION; BORON; BORON COMPOUNDS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; GRAPHENE; HYDROGEN; STORAGE (MATERIALS);

HYDROGEN STORAGE;

EID: 84856342789     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2011.12.005     Document Type: Article

References (13)

1. U. Sahaym, and M.G. Norton J. Mater. Sci. 43 2008 5395
2. S.A. Shevlin, and Z.X. Guo Chem. Soc. Rev. 38 2009 211
3. M. Yoon, S. Yang, C. Hicke, E. Wang, and Z. Zhang Nano Lett. 7 2007 2578
4. X. Yang, R.Q. Zhang, and J. Ni Phys. Rev. B 79 2009 075431
5. E. Borowiak-Palen, T. Pichler, G.G. Fuentes, A. Gra, J.R. Kalenczuk, and M. Knupfer Chem. Phys. Lett. 378 2003 516
6. Z. Zhou, J.J. Zhao, X.P. Gao, Z.F. Chen, J. Yan, and P.V. Schleyer Chem. Mater. 17 2005 992
7. D. Quinonero, A. Frontera, C. Garau, A. Costa, P. Ballester, and P.M. Deya Chem. Phys. Lett. 411 2005 256
8. C. Ataca, E. Aktrk, and S. Ciraci Phys. Rev. B 79 2009 041406(R)
9. Z.M. Ao, and F.M. Peeters Phys. Rev. B 81 2010 205406
10. Y.G. Zhou, X.T. Zu, F. Gao, J.L. Nie, and H.Y. Xiao J. Appl. Phys. 105 2009 014309
11. B. Delley J. Chem. Phys. 92 1990 508
12. G. Gao, T. Gagin, and W.A. Goddard III Phys. Rev. Lett. 80 1998 5556
13. G.E. Froudakis Nano Lett. 1 2001 531