First-principles calculation and proton transfer in TiO2- modified porous glass

Journal of the American Ceramic Society

Volumn 93, Issue 1, 2010, Pages 127-131

  Araki, Takanobu ^a   Daiko, Yusuke ^a   Mineshige, Atsushi ^a   Kobune, Masafumi ^a   Toyoda, Noriaki ^a   Yamada, Isao ^a   Yazawa, Tetsuo ^a  

^a UNIVERSITY OF HYOGO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORBANCES; FIRST-PRINCIPLES CALCULATION; FOURIER TRANSFORM INFRARED; HYDROGEN BONDINGS; OH GROUP; POROUS GLASS; RELATIVE HUMIDITIES; SPINODALS; TI ATOMS; TIO; TITANIUM TETRAISOPROPOXIDE;

ATMOSPHERIC HUMIDITY; BLOWOUT PREVENTERS; BOROSILICATE GLASS; PHASE SEPARATION; PROTONS; SILICON COMPOUNDS; SODIUM; TITANIUM; TITANIUM DIOXIDE;

DENSITY FUNCTIONAL THEORY;

EID: 73149108207     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/j.1551-2916.2009.03381.x     Document Type: Article

References (31)

1. B. H. Steele A. Heinzel Materials for Fuel-Cell Technologies Nature, 414, 345 352 (2001).
2. C. H. Wirguin Recent Advances in Perfluorinated Ionomer Membranes: Structure, Properties and Materials for Fuel-Cell Technologies applications J. Memb. Sci., 120, 1 33 (1996).
3. B. Smitha, S. Sridhar A. A. Khan Solid Polymer Electrolyte Membranes for Fuel Cell Applications - A Review J. Memb. Sci., 259, 10 26 (2005).
4. K. A. Mauritz R. B. Moore State of Understanding of Nafion Chem. Rev., 104, 4535 4585 (2004).
5. J. Wu, X. Yuan, J. J. Martin, H. Wang, J. Zhang, J. Shen, S. Wu W. Merida A Review of PEM Fuel Cell Durability: Degradation Mechanisms and Mitigation Strategies J. Power Sources, 184, 104 119 (2008).
6. N. Y. Steiner, P. Moçotéguy, D. Candusso, D. Hissel, A. Hernandez A. Aslanides A Review on PEM Voltage Degradation Associated With Water Management: Impacts, Influent Factors and Characterization J. Power Sources, 183, 260 274 (2008).
7. S. M. Haile, D. A. Boysen, C. R. I. Chisholm R. B. Merle Solid Acids as Fuel Cell Electrolytes Nature, 410, 910 913 (2001).
8. A. Matsuda, N. Nakamoto, K. Tadanaga, T. Minami M. Tatsumisago Operation of PEFC Using Composite Sheets Composed of Phosphosilicate Gels and Thermally Stable Organic Polymers Solid State Ionics, 177, 2437 2441 (2006).
9. T. Yazawa, T. Shojo, A. Mineshige, S. Yusa, M. Kobune K. Kuraoka Solid Electrolyte Membranes Based on Polyvinyl Phosphonic Acid and Alkoxysilane for Intermediate-Temperature Fuel Cells Solid State Ionics, 178, 1958 1962 (2008).
10. D. J. Jones J. Rozière Recent Advances in the Functionalisation of Polybenzimidazole and Polyetherketone for Fuel Cell Applications J. Memb. Sci., 185, 41 58 (2001).
11. A. Noda, M. A. B. H. Susan, K. Kudo, S. Mitsushima, K. Hayamizu M. Watanabe Brønsted AcidBase Ionic Liquids as Proton-Conducting Nonaqueous Electrolytes J. Phys. Chem. B, 107, 4024 4033 (2003).
12. Y. Daiko, H. Katayama, T. Araki, A. Mineshige, M. Kobune, S. Yusa, T. Yazawa, K. Nagasaka, S. Murata, S. Matsumoto, A. Koiwai I. Konomi In Situ Oxidation of Alkanethiol Groups and Proton Transfer in Nanopores of Sodium Borosilicate Glasses J. Phys. Chem. C, 113, 1891 1895 (2009).
13. T. Yazawa, K. Kuraoka W.-F. Du Effect of Cooling Rate on Pore Distribution in Quenched Sodium Borosilicate Glasses J. Phys. Chem. B, 103, 9841 9845 (1999).
14. 2 on Spinodal Phase Separation and Pore Distribution of Borosilicate Glasses J. Phys. Chem. B, 105, 11949 11954 (2001).
15. Y. Daiko, T. Kasuga M. Nogami Pore Size Effect on Proton Transfer in Sol-Gel Porous Silica Glasses Micropo. Mesopo. Mater., 69, 149 155 (2004).
16. Y. Daiko, T. Kasuga M. Nogami Proton Conduction and Pore Structure in Sol-Gel Glasses Chem. Mater., 14, 4624 4627 (2002).
17. M. Nogami, R. Nagao C. Wong Proton Conduction in Porous Silica Glasses With High Water Content J. Phys. Chem. B, 102, 5772 5775 (1998).
18. 2 Glasses J. Phys. Chem. B, 105, 4653 4656 (2001).
19. N. N. Trukhan, A. A. Panchenko E. Roduner FTIR Spectroscopic Study of Titanium-Containing Mesoporous Silicate Materials Langmuir, 21, 10545 10554 (2005).
20. E. P. Barrett, L. G. Joyner P. P. Halenda The Determination of Pore Volume and Area Distributions in Porous Substances. I. Computations From Nitrogen Isotherms J. Am. Chem. Soc., 73, 373 380 (1951).
21. A. D. Becke Density-Functional Exchange-Energy Approximation With Correct Asymptotic Behavior Phys. Rev. A, 38, 3098 3100 (1988).
22. A. D. Becke Density-Functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys., 98, 5648 5652 (1993).
23. C. Lee, W. Yang R. G. Parr Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B, 37, 785 789 (1988).
24. H. Adachi, M. Tsukada C. Satoko Discrete Variational Xα Cluster Calculations. I. Application to Metal Clusters J. Phys. Soc. Jpn., 45, 875 883 (1978).
25. W. K. S. Sing, H. D. Everett, W. R. A. Haul, L. Moscou, A. R. Pietorri, J. Rouquérol T. Siemieniewska Reporting Physisorption Data for Gas/Solid Systems With Special Reference to the Determination of Surface Area and Porosity (Recommendations 1984) Pure Appl. Chem., 57, 603 619 (1985).
26. 2 Sol-Gel Powders Mater. Res. Soc. Symp. Proc., 346, 421 426 (1994).
27. 2 Glass as a Fuel Cell Electrolyte Working at Sub-Zero to 120°C J. Ceram. Soc. Jpn., 109, 815 817 (2001).
28. Y. Abe, H. Hosono, Y. Ohta L. L. Hench Protonic Conduction in Oxide Glasses: Simple Relations Between Electrical Conductivity, Activation Energy, and the o-h Bonding State Phys. Rev. B, 38, 10166 10169 (1988).
29. M. Nogami Y. Abe Evidence of Water-Cooperative Proton Conduction in Silica Glasses Phys. Rev. B, 55, 12108 12112 (1997).
30. Y. Abe, H. Shimakawa L. L. Hench Protonic Conduction in Alkaline Earth Metaphosphate Glasses Containing Water J. Non-Cryst. Solids, 51, 357 365 (1982).
31. Y. Abe, H. Hosono, W. H. Lee T. Kasuga Electrical Conduction Due to Protons and Alkali-Metal Ions in Oxide Glasses Phys. Rev. B, 48, 15621 15625 (1993).