Li-decorated metal-organic framework 5: A route to achieving a suitable hydrogen storage medium

Proceedings of the National Academy of Sciences of the United States of America

Volumn 104, Issue 51, 2007, Pages 20173-20176

  Blomqvist, A ^a   Araújo, C Moysés ^a   Srepusharawoot, P ^a,b   Ahuja, R ^a,c  

^a UPPSALA UNIVERSITY   (Sweden)

^b Khon Kaen University   (Thailand)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

First principles calculations; Molecular adsorption; Molecular dynamics; Porous materials

Indexed keywords

HYDROGEN; LITHIUM; METAL COMPLEX; ORGANIC CARBON; ORGANIC COMPOUND;

AB INITIO CALCULATION; ADSORPTION; ARTICLE; CHEMICAL ANALYSIS; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; THERMODYNAMICS;

EID: 38049100711     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0708603104     Document Type: Article

References (28)

1. Eddaoudi M, Kim J, Rosi N, Vodak D, Wachter J, O'Keeffe M, Yaghi OM (2002) Science 295:469-472.
2. Rosi NL, Eckert J, Eddaoudi M, Vodak DT, Kim J, O'Keeffe M, Yaghi OM (2003) Science 300:1127-1129.
3. Rowsell JLC, Spencer EC, Eckert J, Howard JAK, Yaghi OM (2005) Science 309:1350-1354.
4. Li H, Eddaoudi M, O'Keeffe M, Yaghi OM (1999) Nature 402:276-279.
5. Mattesini M, Soler JM, Ynduráin F (2006) Phys Rev B 73:094111.
6. Rowsell JLC, Millward AR, Park KS, Yaghi OM (2004) J Am Chem Soc 126:5556-5667.
7. Schlapbach L, Züttel A (2001) Nature 414:353-358.
8. Rowsell JLC, Yaghi OM (2005) Angew Chem Int Ed 44:4670-4679.
9. Chae HK, Siberio-Pérez DY, Kim J, Go Y, Eddaoudi M, Matzger AJ, O'Keeffe M, Yaghi OM (2004) Nature 427:523-527.
10. Férey G, Latroche M, Serre C, Millange F, Loiseau T, Percheron-Guégan A (2003) Chem Commun 2976-2977.
11. Côté AP, Shimizu GKH (2003) Chem Eur J 9:5361-5370.
12. Batten SR, Robson R (1998) Angew Chem Int Ed 37:1460-1494.
13. Chen B, Eddaoudi M, Hyde ST, O'Keeffe M, Yaghi OM (2001) Science 291:1021-1023.
14. Chen B, Eddaoudi M, Reineke TM, Kampf JW, O'Keeffe M, Yaghi OM (2000) J Am Chem Soc 122:11559-11560.
15. Lochan RC, Head-Gordon M (2006) Phys Chem Chem Phys 8:1357-1370.
16. Barbatti M, Jalbert G, Nascimento MAC (2002) J Phys Chem A 106:551-555.
17. Sun Q, Jena P, Wang Q, Marquez M (2006) J Am Chem Soc 128:9741-9745.
18. Chen P, Wu X, Lin J, Tan KL (1999) Science 285:91-93.
19. Froudakis GE (2001) Nano Lett 1:531-533.
20. Sagara T, Klassen J, Ganz E (2001) J Chem Phys 121:12543-12547.
21. Kresse G, Furthmüller J (1996) Phys Rev B 54:11169-11186.
22. Henkelman G, Arnaldsson A, Jónsson H (2006) Comput Mater Sci 36:354-360.
23. Yildirim T, Ciraci S (2005) Phys Rev Lett 94:175501.
24. Stull D, Prophet H, eds (1971) JANAF Thermochemical Tables (US Govt Printing Office, Washington), 2nd Ed, Natl Std Ref Data Ser 37.
25. Perdew JP, Wang Y (1992) Phys Rev B 45:13244-13249.
26. Hohenberg P, Kohn W (1964) Phys Rev B 136:864-871.
27. Kohn W, Sham LJ (1965) Phys Rev A 140:1133-1138.
28. Blöchl PE (1994) Phys Rev B 50:17953-17979.