Vol. 6 No. 5 (2021): September-October
Original Articles

INTEGRATING THERMODYNAMIC AND KINETIC INFORMATION: INSIGHTS FROM POURBAIX DIAGRAMS IN ELECTROCHEMISTRY

Dr. Emily Anne Mitchell
Department of Chemistry, York College, City University of New York
Dr. Alexander James Patel
Department of Chemistry, York College, City University of New York

Published 2023-09-21

Keywords

  • Renewable energy,
  • Fuel cells,
  • Water splitting,
  • Hydrogen production,
  • Hydrogenase enzymes

How to Cite

Mitchell , D. E. A., & Patel, D. A. J. (2023). INTEGRATING THERMODYNAMIC AND KINETIC INFORMATION: INSIGHTS FROM POURBAIX DIAGRAMS IN ELECTROCHEMISTRY . Academic Journal of Science, Engineering and Technology, 6(5), 1–23. Retrieved from https://topjournals.org/index.php/AJSET/article/view/646

Abstract

In the pursuit of sustainable energy solutions and environmental preservation, the need to meet the growing energy demands of the modern world has become increasingly pressing. This challenge has ignited a concerted effort to identify and harness renewable energy sources. Fuel cells have emerged as a promising avenue in this endeavor, primarily due to their ability to derive energy from solar power and the readily available supply of water. This paper delves into the quest for efficient catalysts to facilitate the reversible process of water splitting, a critical step in hydrogen production. Furthermore, we explore the cathodic process of hydrogen oxidation in hydrogen fuel cells. This work draws inspiration from nature's hydrogenase enzymes, which exhibit remarkable efficiency in catalyzing both of these processes. The insights gained from studying hydrogenase enzymes offer valuable guidance in the design and development of hydrogenase-like catalysts, paving the way for cleaner and more sustainable energy production.

References

  1. Arnold, F. H. Nature 2001, 409, 253-257.
  2. Cortright, R. D.; Davda, R. R.; Dumesic, J. A. Nature 2002, 418, 964-967.
  3. Kamat, P. V. Journal of Physical Chemistry C 2007, 111, 2834-2860.
  4. Ni, M.; Leung, M. K. H.; Leung, D. Y. C.; Sumathy, K. Renewable & Sustainable Energy Reviews 2007, 11, 401-425.
  5. Lubitz, W.; Reijerse, E. J.; Messinger, J. Energy & Environmental Science 2008, 1, 1531.
  6. Kudo, A.; Kato, H.; Tsuji, I. Chemistry Letters 2004, 33, 1534-1539.
  7. Chong, D. S.; Georgakaki, I. P.; Mejia-Rodriguez, R.; Samabria-Chinchilla, J.; Soriaga, M. P.; Darensbourg, M. Y. Dalton Transactions 2003, 4158-4163. Rauchfuss, T. B. Science 2007, 317, 43-43.
  8. Berning, D. E.; Miedaner, A.; Curtis, C. J.; Noll, B. C.; DuBois, M. C. R.; Dubois, D. L. Organometallics 2001, 20, 1832-1839.
  9. DuBois, M. R.; DuBois, D. L. Comptes Rendus Chimie 2008, 11, 805-817.
  10. Jacobsen, G. M.; Shoemaker, R. K.; McNevin, M. J.; DuBois, M. R.; DuBois, D. L. Organometallics 2007, 26, 5003-5009.
  11. Curtis, C. J.; Miedaner, A.; Ciancanelli, R.; Ellis, W. W.; Noll, B. C.; DuBois, M. R.; DuBois, D. L. Inorganic Chemistry 2003, 42, 216-227.
  12. Yang, J. Y.; Bullock, R. M.; Dougherty, W. G.; Kassel, W. S.; Twamley, B.; DuBois, D. L.; DuBois, M. R. Dalton Transactions, 39, 3001-3010.
  13. Yang, J. Y.; Bullock, R. M.; Shaw, W. J.; Twamley, B.; Fraze, K.; DuBois, M. R.; DuBois, D. L. Journal of the American Chemical Society 2009, 131, 59355945.
  14. DuBois, D. L.; Bullock, R. M. European Journal of Inorganic Chemistry 2011, 10171027.
  15. DuBois, M. R.; DuBois, D. L. Chemical Society Reviews 2009, 38, 62-72.
  16. Pool, D. H.; DuBois, D. L. Journal of Organometallic Chemistry 2009, 694, 28582865.
  17. Redin, K.; Wilson, A. D.; Newell, R.; DuBois, M. R.; DuBois, D. L. Inorganic Chemistry 2007, 46, 1268-1276.
  18. Wilson, A. D.; Fraze, K.; Twamley, B.; Miller, S. M.; DuBois, D. L.; DuBois, M. R. Journal of the American Chemical Society 2008, 130, 1061-1068.
  19. Wilson, A. D.; Newell, R. H.; McNevin, M. J.; Muckerman, J. T.; DuBois, M. R.; DuBois, D. L. Journal of the American Chemical Society 2006, 128, 358-366.
  20. Wilson, A. D.; Shoemaker, R. K.; Miedaner, A.; Muckerman, J. T.; DuBois, D. L.; DuBois, M. R. Proceedings of the National Academy of Sciences of the United States of America 2007, 104, 6951-6956.
  21. Frey, M. ChemBioChem 2002, 3, 153-160.
  22. Andzelm, J.; Kolmel, C.; Klamt, A. Journal of Chemical Physics 1995, 103, 9312-9320.
  23. Becke, A. D. Physical Review A 1988, 38, 3098-3100.
  24. Becke, A. D. Journal of Chemical Physics 1993, 98, 5648-5652.
  25. Lee, C. T.; Yang, W. T.; Parr, R. G. Physical Review B 1988, 37, 785-789.
  26. Frisch, A.; Frisch, M. J.; Trucks, G. W. Gaussian 03 user's reference; Gaussian: Carnagie, PA, 2003.
  27. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.;
  28. Cheeseman, J. R.; Jr, J. A. M.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam,
  29. J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani,
  30. G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V.
  31. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.;
  32. Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A.; Gaussian, Inc.: Wallingford, CT, 2003.
  33. Takano, Y.; Houk, K. N. Journal of Chemical Theory and Computation 2005, 1, 7077.
  34. Ginovska, B.; Camaioni, D. M.; Dupuis, M.; Schwerdtfeger, C. A.; Gil, Q. Journal of Physical Chemistry A 2008, 112, 10604-10613.
  35. Klamt, A.; Schuurmann, G. Journal of the Chemical Society-Perkin Transactions 2 1993, 799-805.
  36. Liptak, M. D.; Shields, G. C. Journal of the American Chemical Society 2001, 123, 7314-7319.
  37. Barone, V.; Cossi, M.; Tomasi, J. Journal of Chemical Physics 1997, 107, 3210-3221.
  38. Bondi, A. Journal of Physical Chemistry 1964, 68, 441-&.
  39. Chauvin, R. Journal of Physical Chemistry 1992, 96, 9194-9197.
  40. Rowland, R. S.; Taylor, R. Journal of Physical Chemistry 1996, 100, 7384-7391.
  41. Zhao, X.; Georgakaki, I. P.; Miller, M. L.; Mejia-Rodriguez, R.; Chiang, C. Y.; Darensbourg, M. Y. Inorganic Chemistry 2002, 41, 3917-3928.
  42. Nunes, G. S.; Alexiou, A. D. P.; Araki, K.; Formiga, A. L. B.; Rocha, R. C.; Toma, H. E. European Journal of Inorganic Chemistry 2006, 1487-1495.
  43. Kelly, C. P.; Cramer, C. J.; Truhlar, D. G. Journal of Physical Chemistry B 2006, 110, 16066-16081.
  44. Cukier, R. I.; Nocera, D. G. Annual Review of Physical Chemistry 1998, 49, 337-369.
  45. Meyer, T. J.; Huynh, M. H. V.; Thorp, H. H. Angewandte Chemie-International Edition 2007, 46, 5284-5304.
  46. Small, Y. A.; DuBois, D. L.; Fujita, E.; Muckerman, J. T. Energy & Environmental Science, 4, 3008-3020.
  47. Qi, X. J.; Liu, L.; Fu, Y.; Guo, Q. X. Organometallics 2006, 25, 5879-5886.
  48. Schuurmann, G.; Cossi, M.; Barone, V.; Tomasi, J. Journal of Physical Chemistry A 1998, 102, 6706-6712.
  49. Tissandier, M. D.; Cowen, K. A.; Feng, W. Y.; Gundlach, E.; Cohen, M. H.; Earhart,
  50. A. D.; Coe, J. V.; Tuttle, T. R. Journal of Physical Chemistry A 1998, 102, 7787-7794.
  51. Lewis, A.; Bumpus, J. A.; Truhlar, D. G.; Cramer, C. J. Journal of Chemical Education 2004, 81, 596-604.
  52. Short, G. D.; Bishop, E. Analytical Chemistry 1965, 37, 962-&.
  53. Tye, J. W.; Darensbourg, M. Y.; Hall, M. B. Inorganic Chemistry 2006, 45, 1552-1559.
  54. O'Hagan, M.; Shaw, W. J.; Raugei, S.; Chen, S.; Yang, J. Y.; Kilgore, U. J.; DuBois, D. L.; Bullock, R. M. Journal of the American Chemical Society, 133, 1430114312.
  55. Evans, D. J.; Pickett, C. J. Chemical Society Reviews 2003, 32, 268-275.
  56. Chen, S.; Raugei, S.; Rousseau, R.; Dupuis, M.; Bullock, R. M. Journal of Physical Chemistry A 2011, 114, 12716-12724.
  57. Kanan, M. W.; Surendranath, Y.; Nocera, D. G. Chemical Society Reviews 2009, 38, 109-114.