A molecular dynamics simulation of the structure of ionic liquid (BMIM +/PF 6 - )/rutile (110) interface

Science in China, Series B: Chemistry

Volumn 52, Issue 9, 2009, Pages 1434-1437

  Wang, Shu ^a   Cao, Zhen ^a   Li, Shu ^a   Yan, Tianying ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

Interface; Ionic liquid; Molecular dynamics simulation; Rutile (110)

Indexed keywords

1-BUTYL-3-METHYL-IMIDAZOLIUM HEXAFLUOROPHOSPHATE; CLASSICAL MOLECULAR DYNAMICS; INTERFACE; INTERFACIAL REGION; INTERFACIAL STRUCTURES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; ROOM TEMPERATURE IONIC LIQUIDS; RUTILE (110); SIDE CHAINS; SIMULATION RESULT; TIO;

DYNAMICS; IONIC LIQUIDS; IONS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; OXIDE MINERALS; TITANIUM OXIDES;

IONIZATION OF LIQUIDS;

EID: 70349494346     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-009-0220-y     Document Type: Article

References (16)

1. T. Welton 1999 Room-temperature ionic liquids. Solvents for synthesis and catalysis Chem Rev 99 8 2071 2084 10.1021/cr980032t 1:CAS:528: DyaK1MXkt1artrw%3D
2. - for the preparation of hierarchical nanostructured rutile titania J Solid State Chem 180 2 799 803 10.1016/j.jssc.2006.11.008 1:CAS:528:DC%2BD2sXht1yhs70%3D (Pubitemid 46185426)
3. 2 solar cells using imidazolium-type ionic liquid crystal systems as effective electro-lytes J Phys Chem B 111 18 4763 4769 10.1021/jp0671446 1:CAS:528:DC%2BD2sXovVai (Pubitemid 46826383)
4. P. Wang B. Wenger R. Humphry-Baker J. E. Moser J. Teuscher W. Kantlehner J. Mezger E. V. Stoyanov S. M. Zakeeruddin M. Grätzel 2005 Charge separation and efficient light energy conversion in sensitized mesoscopic solar cells based on binary ionic liquids J Am Chem Soc 127 18 6850 6856 10.1021/ja042232u 1:CAS:528:DC%2BD2MXjtlWntLc%3D (Pubitemid 40664192)
5. 2 films Nature 353 6346 737 740 10.1038/353737a0 (Pubitemid 21738149)
6. M. Grätzel 2001 Photoelectrochemical cells Nature 414 6861 338 344 10.1038/35104607 (Pubitemid 33097816)
7. O. J. Lanning P. A. Madden 2004 Screening at a charged surface by a mol-ten salt J Phys Chem B 108 30 11069 11072 10.1021/jp048102p 1:CAS:528:DC%2BD2cXltFWgsro%3D
8. C. Pinilla M. G. Del Pópolo J. Kohanoff R. M. Lynden-Bell 2007 Polarization relaxation in an ionic liquid confined between electrified walls J Phys Chem B 111 18 4877 4884 10.1021/jp067184+ 1:CAS:528:DC%2BD2sXhsFOkur0%3D
9. W. Kubo S. Kambe S. Nakade T. Kitamura K. Hanabusa Y. Wada S. Yanagida 2003 Photocurrent-determining processes in quasi-solid-state dye-sensitized solar cells using ionic gel electrolytes J Phys Chem B 107 18 4374 4381 10.1021/jp034248x 1:CAS:528:DC%2BD3sXivVaqtb4%3D
10. C. Aliaga S. Baldelli 2008 A sum frequency generation study of the room-temperature ionic liquid-titanium dioxide interface J Phys Chem C 112 8 3064 3072 10.1021/jp709753r 1:CAS:528:DC%2BD1cXhsVWju7w%3D (Pubitemid 351362338)
11. L. Liu S. Li Z. Cao Y. Peng G. Li T. Yan X.-P. Gao 2007 Well-ordered structure at ionic liquid/rutile (110) interface J Phys Chem C 111 33 12161 12164 10.1021/jp075444x 1:CAS:528:DC%2BD2sXotlans7w%3D (Pubitemid 47387764)
12. Z. Gu J. F. Brennecke 2002 Volume expansivities and isothermal compressibilities of imidazolium and pyridinium-based ionic liquids J Chem Eng Data 47 2 339 345 10.1021/je010242u 1:CAS:528:DC%2BD38XhsV2htL4%3D (Pubitemid 34255049)
13. M. Mezger H. Schröder H. Reichert S. Schramm J. S. Okasinski S. Schöder V. Honkimäki M. Deutsch B. M. Ocko J. Ralston M. Rohwerder M. Stratmann H. Dosch 2008 Molecular layering of fluorinated ionic liquids at a charged sapphire (0001) surface Science 322 5900 424 428 10.1126/science.1164502 1:CAS:528:DC%2BD1cXht1CitrzJ
14. C. Pinilla M. G. Del Pópolo R. M. Lynden-Bell J. Kohanoff 2005 Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells J Phys Chem B 109 38 17922 17927 10.1021/jp052999o 1:CAS:528:DC%2BD2MXpsFarsbw%3D
15. S. Baldelli 2008 Surface structure at the ionic liquid-electrified metal interface Acc Chem Res 41 3 421 431 10.1021/ar700185h 1:CAS:528: DC%2BD1cXhsVWjtLk%3D
16. 6] ionic liquid on graphite surfaces: Molecular dynamics simulation J Chem Phys 128 13 134504 134510 10.1063/1.2898497