The effect of surface oxidation on atomic hydrogen adsorption on lithium-doped graphite surfaces

Carbon

Volumn 50, Issue 10, 2012, Pages 3882-3888

  Allouche, A ^a   Krstic, P S ^b  

^a CNRS   (France)

^b Oak Ridge National Laboratory   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC HYDROGEN; ATOMIC VACANCIES; GRAPHITE SURFACES; HYDROGEN ADSORPTION; HYDROGEN ATOMS; LITHIUM DOPING; OXIDIZATION; OXIDIZED GRAPHITES; PLANE WAVE DENSITY FUNCTIONAL THEORY; PRISTINE SURFACES; SURFACE OXIDATIONS; SURFACE REACTIVITY;

HYDROGEN; LITHIUM;

ATOMS;

EID: 84861583473     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2012.04.032     Document Type: Article

References (28)

1. N.A. Kaskhedikar, and J. Maier Lithium storage in carbon nanostructures Adv Mater 21 25-26 2009 2664 2680
2. S. Orimo, Y. Nakamori, J.R. Eliseo, A. Zuettel, and C.M. Jensen Complex hydrides for hydrogen storage Chem Rev 107 10 2007 4111 4132
3. H. Yagi, H. Toyoda, and H. Sugai Dramatic reduction of chemical sputtering of graphite under intercalation of lithium J Nucl Mater 313-316 2003 284 287
4. J.P. Allain, D.L. Rokusek, S.S. Harilal, M. Nieto-Perez, C.H. Skinner, and H.W. Kugel Experimental studies of lithium-based surface chemistry for fusion plasma-facing materials applications J Nucl Mater 390-391 15 2009 942 946
5. M.G. Bell, H.W. Kugel, R. Kaita, L.E. Zakharov, H. Schneider, and B.P. LeBlanc Plasma response to lithium-coated plasma-facing components in the National spherical torus experiment Plasma Phys Control Fusion 51 12 2009 124054
6. R. Maingi, S.M. Kaye, and C.H. Skinner Continuous improvement of h-mode discharge performance with progressively increasing lithium coatings in the National spherical torus experiment Phys Rev Lett 107 14 2011 145004
7. S. Mirnov, V. Lazarev, and S. Sotnikov Li-CPS limiter in tokamak T-11M Fusion Eng Des 65 3 2003 455 465
8. G. Xu, B. Wan, J. Li, X. Gong, J. Hu, and J. Shan Study on H-mode access at low density with lower hybrid current drive and lithium-wall coatings on the EAST superconducting tokamak Nucl Fusion 51 7 2011 072001
9. Krstic PS, Allain JP, Allouche A, Jakowski J, Dadras J, Taylor CN, et al. Dynamics of deuterium retention and sputtering of Li-C-O Surfaces. Fusion Eng Des 2011 in press, http://dx.doi.org/10.1016 /j.fusengdes.2011.07.009.
10. Taylor C, Allain JP, private, communication (2011).
11. A. Allouche, and P.S. Krstic Atomic hydrogen adsorption on lithium-doped graphite surfaces Carbon 50 2 2011 510 517
12. C.N. Taylor, B. Heim, and J.P. Allain Chemical response of lithiated graphite with deuterium irradiation J Appl Phys 109 5 2011 053306
13. D.R. Dreyer, S. Park, C. Bielawski, and R.S. Ruoff The chemistry of graphene oxide Chem Soc Rev 39 2010 228 240
14. E. Tylianakis, G.M. Psofogiannakis, and G.E. Froudakis Li-doped pillared graphene oxide: a graphene-based nanostructured material for hydrogen storage J Phys Chem Lett 1 16 2010 2459 2464
15. E. Tylianakis, E. Klontzas, and G.E. Froudakis The effect of structural and energetic parameters of MOFs and COFs towards the improvement of their hydrogen storage properties Nanotechnology 20 20 2009 204030
16. M.E. Stournara, and V.B. Shenoy Enhanced Li capacity at high lithiation potentials in graphene oxide J Power Sources 196 13 2011 5697 5703
17. Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J Phys: Condens Matter 2009; 21(39): 395502; website: http://www.pwscf.org /.
18. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys Rev Lett 77 18 1996 3865 3868
19. P.E. Blöchl Projector augmented-wave method Phys Rev 50 24 1994 17953 17979
20. H.J. Monkhorst, and J.D. Pack Special points for Brillouin-zone integrations Phys Rev B 13 125 1976 5188 5192
21. E.J. Meijer, and M. Sprik A density functional study of the intermolecular interactions of benzene J Chem Phys 105 19 1996 8684 8689
22. J. Grafenstein, and D. Cremer An efficient algorithm for the density-functional theory treatment of dispersion interactions J Chem Phys 130 2 2009 124105
23. G.R. Jenness, O. Karalti, and K.D. Jordan Benchmark calculations of water-acene interaction energies: extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods Phys Chem Chem Phys 12 14 2010 6375 6387
24. K.E. Riley, M. Pitonak, P. Jurecka, and P. Hobza Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories Chem Rev 110 2010 5023
25. A. Allouche, and Y. Ferro Dissociative adsorption of small molecules at vacancies on the graphite (0 0 0 1) surface Carbon 44 15 2006 3320 3327
26. 2D lithium isotopes: applications to polarizabilities and dispersion interactions Phys Rev A 79 6 2009 062712
27. J.R. Maple, and C.S. Ewig An ab initio procedure for deriving atomic polarizability tensors in molecules J Chem Phys 115 11 2001 4981
28. 2 J Chem Phys 70 04 1979 1815 1820