Atomic structure and lattice dynamics of Ni and Mg hydroxides

Solid State Ionics

Volumn 181, Issue 39-40, 2010, Pages 1764-1770

  Kazimirov, V Yu ^a   Smirnov, M B ^b   Bourgeois, L ^c   Guerlou Demourgues, L ^d,e   Servant, L ^c   Balagurov, A M ^a   Natkaniec, I ^a   Khasanova, N R ^f   Antipov, E V ^f  

^a JOINT INSTITUTE FOR NUCLEAR RESEARCH   (Russian Federation)

^b ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^c INSTITUT DES SCIENCES MOLÉCULAIRES   (France)

^d CNRS   (France)

^e UNIVERSITÉ DE BORDEAUX   (France)

^f MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Atomic structure; Current batteries; Lattice dynamics; Nickel hydroxides

Indexed keywords

ATOMS; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; DYNAMICS; INCOHERENT SCATTERING; LATTICE VIBRATIONS; MAGNESIUM COMPOUNDS; NEUTRON SCATTERING;

ELECTRODE MATERIAL; FORCE CONSTANT MATRIX; INCOHERENT INELASTIC NEUTRON SCATTERINGS; INTERATOMIC INTERACTIONS; NICKEL HYDROXIDES; SPIN-SPIN INTERACTION; THEORETICAL APPROACH; ZONE-CENTER PHONONS;

NICKEL COMPOUNDS;

EID: 78649719856     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2010.10.002     Document Type: Article

References (41)

1. R.J. Brodd, K.R. Bullock, R.A. Leising, R.L. Middaugh, J.R. Miller, and E. Takeuchi J. Electrochem. Soc. 151 2004 K1
2. J. McBreen R.E. White, J.O. Bockris, B.E. Conway, Modern Aspects of Electrochemistry 1990 Plenum Press 29 New York and London
3. H. Bode, K. Dehmelt, and J. Witte J. Electrochem. Acta 11 1966 1079
4. Eriksson L.U. Palmqvist, H. Rundlöf, U. Thuresson, and R. Sjövall J. Power Sources 107 2002 34
5. A.N. Mansou, and C.A. Melendres Physica B 208&209 1995 583
6. C. Tessier, P.H. Haumesser, P. Bernard, and C. Delmas J. Electrochem. Soc. 146 6 1999 2059
7. S. Deabate, F. Fourgeot, and F. Henn J. Power Sources 87 2000 125
8. M. Casas-Cabanas, J. Rodriguez-Carvajal, J. Canales-Vazqueza, and M. Rosa Palacin J. Mater. Chem. 16 2006 2925
9. R.W. Cairns, and E. Ott J. Am. Chem. Soc. 55 1933 527
10. A. Szytula, A. Murasik, and M. Balanda Phys. Status Solidi 43 1971 125
11. C. Delmas, and C. Tessier J. Mater. Chem. 7 8 1997 1439
12. F. Barde, M.R. Palacin, Y. Chabre, O. Isnard, and J.-M. Tarascon Chem. Mater. 16 2004 3936
13. H.D. Lutz, H. Moller, and M. Schmidt J. Mol. Struct. 328 1994 121
14. C. Murli Physica B 307 1 2001 111
15. S. R. Shieh, and T. S. Duffy (unpublished).
16. R. Kostecki, and F. McLarnon J. Electrochem. Soc. 144 2 1997 485
17. N.R. Farley, S.J. Gurman, and A.R. Hillman J. Synchrotron Radiat. 6 1999 198
18. F. Pascale, S. Tosoni, C. Zicovich-Wilson, P. Ugliengo, R. Orlando, and R. Dovesi Chem. Phys. Lett. 396 4-6 2004 308
19. I. Natkaniec, S. I. Bragin, J. Brankowski, and J. Mayer, Proc. ICANS XII Meeting, Abington (1993), RAL Report 94-025 v.I (1994) 89.
20. R.G. Parr, and W. Yang Density-Functional Theory of Atoms and Molecules 1989 Oxford University Press New York
21. R. Dreizler, and E. Gross Density Functional Theory 1995 Plenum Press New York
22. W. Koch, and M. C. Holthausen, A Chemist's Guide to Density Functional Theory. Wiley-VCH, Weinheim, ed. (2002) 2.
23. B. Delley J. Chem. Phys. 113 18 2000 7756
24. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
25. B. Hammer, L.B. Hansen, and J.K. Norskov Phys. Rev. B 59 1999 7413
26. B. Delley J. Chem. Phys. 92 1990 508
27. E.L. Bokhenkov, I. Natkaniec, and E.F. Sheka J. Exp. Theor. Phys. 43 1976 536
28. R. Demichelis, B. Civalleri, Y. Noel, A. Meyer, and R. Dovesi Chem. Phys. Lett. 465 2008 220
29. V. Barone, M. Biczysko, and M. Pavone Chem. Phys. 346 2008 247
30. B.I. Bersuker Electronic Structure and Properties of Transition Metal Compounds 1996 Wiley New York
31. D. Chen, and L. Gao Chem. Phys. Lett. 405 2005 159
32. B. Reynard, and R. Caracas Chem. Geol. 262 2009 159
33. R. Baddour-Hadjean, F. Fillaux, N. Floquet, S. Belushkin, I. Natkaniec, L. Desgranges, and D. Grebille Chem. Phys. 197 1995 81
34. A.N. Lazarev Molecular Approach to Solids 1998 Elsevier Amsterdam
35. M.B. Smirnov, and V.Yu. Kazimirov Communication of JINR, E14-2001-159, Dubna 2001
36. L. Desgranges, D. Grebille, G. Galvarin, G. Chevrier, N. Floquet, and J.-C. Niepce Acta Crystallogr. B49 1993 812
37. L. Desgranges, G. Galvarin, and G. Chevrier Acta Crystallogr. B52 1996 82
38. International Centre for Diffraction Data (ICDD), Newton Square, PA, USA.
39. K.-W. Nam, and K.-B. Kim J. Electrochem. Soc. 149 3 2002 A346
40. J.L. Bantignies, S. Deabate, A. Righi, S. Rols, P. Hermet, J.L. Sauvajol, and F. Henn J. Phys. Chem. C 112 6 2008 2193
41. A. Van der Ven, D. Morgan, Y.S. Meng, and G. Ceder J. Electrochem. Soc. 153 2 2006 A210