Creating interfaces by stretching the solvent is key to metallic ammonia solutions

Angewandte Chemie - International Edition

Volumn 46, Issue 20, 2007, Pages 3676-3679

  Chandra, Amalendu ^a   Marx, Dominik ^a,b  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

Ab initio calculations; Ammonia; Electronic structure; Interfaces; Lithium; Molecular dynamics

Indexed keywords

AMMONIA; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; ELECTRONS; MOLECULAR DYNAMICS; SOLUTIONS;

AB INITIO CALCULATIONS; SOLVENT INTERFACES;

LITHIUM;

EID: 34250878374     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200604431     Document Type: Article

References (27)

1. W. Weyl, Ann. Phys. Chem. 1864, 121, 601-612.
2. P. P. Edwards, Adv. Inorg. Chem. Radiochem. 1982, 25, 135-185.
3. J. C. Thompson, Electrons in Liquid Ammonia, Clarendon, Oxford, 1976;
4. N. F. Mott, Metal-Insulator Transitions, Taylor & Francis, London, 1990.
5. R. A. Ogg, Jr., Phys. Rev. 1946, 69, 668-669.
6. J. Jortner, J. Chem. Phys. 1959, 30, 839-846.
7. M. Sprik, R. W. Impey, M. L. Klein, Phys. Rev. Lett. 1986, 56, 2326-2329;
8. Z. Deng, G. J. Martyna, M. L. Klein, Phys. Rev. Lett. 1992, 68, 2496-2499;
9. Z. Deng, G. J. Martyna, M. L. Klein, Phys. Rev. Lett. 1993, 71, 267-270;
10. Z. Deng, M. L. Klein, G. J. Martyna, J. Chem. Soc. Faraday Trans. 1994, 90, 2009-2013.
11. J. Kohanoff, F. Buda, M. Parrinello, M. L. Klein, Phys. Rev. Lett. 1994, 73, 3133-3136;
12. see also Comment: T. A. Kaplan, J. F. Harrison, J. L. Dye, R. Rencsok, Phys. Rev. Lett. 1995, 75, 978-978.
13. T. R. Tuttle, Jr., S. Golden, J. Phys. Chem. 1991, 95, 5725-5736.
14. I. A. Shkrob, J. Phys. Chem. A 2006, 110, 3967-3976.
15. a) S. Hayama, N. T. Skipper, J. C. Wasse, H. Thompson, J. Chem. Phys. 2002, 116, 2991-2996;
16. b) H. Thompson, J. C. Wasse, N. T. Skipper, S. Hayama, D. T. Bowron, A. K. Soper, J. Am. Chem. Soc. 2003, 125, 2572-2581;
17. c) H. Thompson, J. C. Wasse, N. T. Skipper, C. A. Howard, D. T. Bowron, A. K. Soper, J. Phys. Condens. Matter 2004, 16, 5639-5652.
18. C. A. Burns, P. Giura, A. Said, A. Shukla, G. Vankó, M. TuelBenckendorf, E. D. Isaacs, P. M. Platzman, Phys. Rev. Lett. 2002, 89, 236404;
19. C. A. Burns et al., J. Chem. Phys. 2006, 124, 024720.
20. H. Thompson, N. T. Skipper, J. C. Wasse, W. S. Howells, M. Hamilton, F. Fernandez-Alonso, J. Chem. Phys. 2006, 124, 024501.
21. A. D. Boese, A. Chandra, J. M. L. Martin, D. Marx, J. Chem. Phys. 2003, 119, 5965-5980.
22. A. Alavi, J. Kohanoff, M. Parrinello, D. Frenkel, Phys. Rev. Lett. 1994, 73, 2599-2602.
23. D. Marx, J. Hutter in Modern Methods and Algorithms of Quantum Chemistry (Ed.: J. Grotendorst), NIC, FZ Jülich, 2000, pp. 301-449; see http://www.theochem.rub.de/go/cprev.html.
24. J. Hutter et al., CPMD; see http://www.cpmd.org.
25. N. Marzari, D. Vanderbilt, Phys. Rev. B 1997, 56, 12847-12865.
26. J. L. Dye, Science 1990, 247, 663-668;
27. J. L. Dye, Science 2003, 301, 607-608.