Nanostructures of LiBH4: A density-functional study

Nanotechnology

Volumn 20, Issue 27, 2009, Pages

  Vajeeston, P ^a   Ravindran, P ^a   Fjellvg, H ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AB INITIO; AUGMENTED PLANE-WAVE METHOD; BOND DISTANCE; BULK CRYSTALS; BULK MATERIALS; CRITICAL SIZE; HYDROGEN SITE ENERGY; LOW ENERGY SURFACES; TOTAL ENERGY CALCULATION;

ELECTRONIC STRUCTURE; HYDROGEN; NANOWHISKERS; PHASE STABILITY; STRUCTURAL DESIGN; STRUCTURAL OPTIMIZATION;

SURFACES;

BORANE DERIVATIVE; LITHIUM BORANE; LITHIUM DERIVATIVE; NANOMATERIAL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; NANOCHEMISTRY; PRIORITY JOURNAL;

EID: 67649360035     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/20/27/275704     Document Type: Article

References (23)

1. Bogdanovic B and Schwickardi M 1997 J. Alloys Compounds 253 1
2. Bogdanovic B, Brand R A, Marjanovic A, Schwickardi M and Tolle J 2000 J. Alloys Compounds 302 36
3. Züttel A, Wenger P, Rentsch S, Sudan P, Mauron Ph and Emmenegger Ch 2003 J. Power Sources 118 1
4. Züttel A, Rentsch S, Fischer P, Wenger P, Sudan P, Mauron Ph and Emmenegger Ch 2003 J. Alloys Compounds 356/357 515
5. Au M, Jurgensen A and Zeigler K J 2006 Phys. Chem. B 110 26482
6. Orimo S, Nakamori Y, Kitahara G, Miwa K, Ohba N, Towata S and Züttel A 2005 J. Alloys Compounds 404-406 427
7. Vajo J J and Skeith S L 2005 J. Phys. Chem. B 109 3719
8. Kang J K, Kim S Y, Han Y S, Muller R P and Goddard W A 2005 Appl. Phys. Lett. 87 111904
9. Lodziana Z and Vegge T 2004 Phys. Rev. Lett. 93 145501
10. Yang J, Sudik A and Wolverton C 2007 J. Phys. Chem. C 111 19134
11. Au M and Jurgensen A 2006 J. Phys. Chem. B 110 7062
12. Vajo J J, Salguero T T, Gross A F, Skeith S L and Olson G L 2007 J. Alloys Compounds 446/447 409
13. Gross A F, Vajo J J, Atta S L V and Olson G L 2008 J. Phys. Chem. C 112 5651
14. Perdew J P 1991 Electronic Structure of Solids ed P Ziesche and H Eschrig (Berlin: Akademie) p11
15. Perdew J P, Burke K and Wang Y 1996 Phys. Rev. B 54 16533
16. Perdew J P, Burke S and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
17. Kresse G and Hafner J 1993 Phys. Rev. B 47 558
18. Kresse G and Furthmuller J 1996 J. Comput. Mater. Sci. 6 15
19. Blöchl P E 1994 Phys. Rev. B 50 17953
20. Kresse G and Joubert J 1999 Phys. Rev. B 59 1758
21. Ge Q 2004 J. Phys. Chem. A 108 8682
22. Vajeeston P, Ravindran P and Fjellvg H 2008 Nanotechnology 19 275704
23. Wagemans R W P, van Lenthe J H, de Jongh P E, van Dillen A J and de Jong K P 2005 J. Am. Chem. Soc. 127 16675