Skip to main content
Erschienen in: Adsorption 7-8/2017

13.10.2017

Adsorption of phosphoric acid anions on platinum (111)

verfasst von: Lynndle C. Square, Christopher J. Arendse, Theophillus F. G. Muller

Erschienen in: Adsorption | Ausgabe 7-8/2017

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract

The adsorption of phosphoric acid anions on the platinum (111) plane is investigated using Monte Carlo and density functional theory methods. The minimum energy structure is used to generate the adsorption configurations, indicating the preferred adsorption sites. The bond lengths was found from density functional theory calculations and used to gain further insight on the structure due to adsorption. From the density functional calculations the scanning tunnelling microscopy image of the specie with the lowest adsorption energy configuration and shortest bond length was produced.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Literatur
Zurück zum Zitat Accelrys: Materials Studio Release Notes. Accelrys Software Inc, San Diego (2011) Accelrys: Materials Studio Release Notes. Accelrys Software Inc, San Diego (2011)
Zurück zum Zitat Al-Ghamdi, A., Shalaan, E., Al-Hazmi, F., Faidah, A., Al-Heniti, S., Husain, M.: Adsorption sites of hydrogen atom on pure and Mg-doped multi-walled carbon nanotubes. J. Nanomater. 89, (2012) Al-Ghamdi, A., Shalaan, E., Al-Hazmi, F., Faidah, A., Al-Heniti, S., Husain, M.: Adsorption sites of hydrogen atom on pure and Mg-doped multi-walled carbon nanotubes. J. Nanomater. 89, (2012)
Zurück zum Zitat Arruda, T., Shyam, B., Ziegelbauer, J., Mukerjee, S., Ramaker, D.: Investigation into the competitive and Site-specific nature of anion adsorption of Pt using in situ x-ray absorption spectroscopy. J. Phys. Chem. C. 112, 18087–18097 (2008)CrossRef Arruda, T., Shyam, B., Ziegelbauer, J., Mukerjee, S., Ramaker, D.: Investigation into the competitive and Site-specific nature of anion adsorption of Pt using in situ x-ray absorption spectroscopy. J. Phys. Chem. C. 112, 18087–18097 (2008)CrossRef
Zurück zum Zitat Dupuis, A.: Proton exchange membranes for fuel cells operated at medium temperatures: materials and experimental techniques. Prog Mater Sci. 289–327, (2010) Dupuis, A.: Proton exchange membranes for fuel cells operated at medium temperatures: materials and experimental techniques. Prog Mater Sci. 289–327, (2010)
Zurück zum Zitat Fukuda, T., Aramata, A.: The kinetic study of specific adsorption of phosphate species on Pt(111) in acidic solutions. J. Electroanal. Chem. 440, 153–161 (1997) Fukuda, T., Aramata, A.: The kinetic study of specific adsorption of phosphate species on Pt(111) in acidic solutions. J. Electroanal. Chem. 440, 153–161 (1997)
Zurück zum Zitat Gisbert, R., García, G., Koper, M.: Adsorption of phosphate species on poly-oriented Pt and Pt() electrodes over a wide range of pH. Electrochim. Acta. 55, 7961–7968 (2010)CrossRef Gisbert, R., García, G., Koper, M.: Adsorption of phosphate species on poly-oriented Pt and Pt() electrodes over a wide range of pH. Electrochim. Acta. 55, 7961–7968 (2010)CrossRef
Zurück zum Zitat Guo, L., Ren, X., Zhou, Y., Xu, S., Gong, Y.: Monte Carlo simulations of corrosion inhibition of copper by two Schiff bases. Conference: 2015 International Conference on Materials, Environmental and Biological Engineering. (2015). doi:10.2991/mebe-15.2015.143 Guo, L., Ren, X., Zhou, Y., Xu, S., Gong, Y.: Monte Carlo simulations of corrosion inhibition of copper by two Schiff bases. Conference: 2015 International Conference on Materials, Environmental and Biological Engineering. (2015). doi:10.​2991/​mebe-15.​2015.​143
Zurück zum Zitat He, R., Che, Q., Sun, B.: The acid doping behavior of polybenzimidazole membranes in phosphoric acid for proton exchange membrane fuel cells. Fibers Polym. 9(6), 679–684 (2008)CrossRef He, R., Che, Q., Sun, B.: The acid doping behavior of polybenzimidazole membranes in phosphoric acid for proton exchange membrane fuel cells. Fibers Polym. 9(6), 679–684 (2008)CrossRef
Zurück zum Zitat He, Q., Yang, X., Chen, W., Mukerjee, S., Koel, B.: Influence of phosphate anion adsorption on the kinetics of oxygen electroreduction on low index Pt(hkl) single crystals. Phys. Chem. Chem. Phys. 12, 1254–1255 (2010) He, Q., Yang, X., Chen, W., Mukerjee, S., Koel, B.: Influence of phosphate anion adsorption on the kinetics of oxygen electroreduction on low index Pt(hkl) single crystals. Phys. Chem. Chem. Phys. 12, 1254–1255 (2010)
Zurück zum Zitat He, Q., Shyam, B., Nishijima, M., Ramaker, D., Mukerjee, S.: Mitigating phosphate anion poisoning of cathodic Pt/C catalyst in phosphoric acid fuel cells. Phys. Chem. C. 117, 4877–4887 (2013)CrossRef He, Q., Shyam, B., Nishijima, M., Ramaker, D., Mukerjee, S.: Mitigating phosphate anion poisoning of cathodic Pt/C catalyst in phosphoric acid fuel cells. Phys. Chem. C. 117, 4877–4887 (2013)CrossRef
Zurück zum Zitat Inglezakis, V., Zorpas, A.: Heat of adsorption, adsorption energy and activation energy in adsorption and ion exchange systems. Desalin. Water Treat. 39(1–3), 149–157 (2012)CrossRef Inglezakis, V., Zorpas, A.: Heat of adsorption, adsorption energy and activation energy in adsorption and ion exchange systems. Desalin. Water Treat. 39(1–3), 149–157 (2012)CrossRef
Zurück zum Zitat Javier, A.: Integrating experiment and theory in electrochemical surface science: studies on the molecular adsorption on noble-metal electrode surfaces by density functional theory, electron spectroscopy, and electrochemistry, Doctoral dissertation, (2013) Javier, A.: Integrating experiment and theory in electrochemical surface science: studies on the molecular adsorption on noble-metal electrode surfaces by density functional theory, electron spectroscopy, and electrochemistry, Doctoral dissertation, (2013)
Zurück zum Zitat Kamat, A., Herrmann, M., Ternes, D., Klein, O., Krewer, U., Scholl, S.: Experimental investigation into phosphoric acid adsorption on platinum catalysts in a high temperature PEM fuel cell. Fuel Cells. 11, 511–517 (2011)CrossRef Kamat, A., Herrmann, M., Ternes, D., Klein, O., Krewer, U., Scholl, S.: Experimental investigation into phosphoric acid adsorption on platinum catalysts in a high temperature PEM fuel cell. Fuel Cells. 11, 511–517 (2011)CrossRef
Zurück zum Zitat Khaled, K., El-Sherik, A.: Using molecular dynamics simulations and genetic function approximation to model corrosion inhibition of iron in chloride solutions. Int. J. Electrochem. Sci. 8, 10022–10043 (2013) Khaled, K., El-Sherik, A.: Using molecular dynamics simulations and genetic function approximation to model corrosion inhibition of iron in chloride solutions. Int. J. Electrochem. Sci. 8, 10022–10043 (2013)
Zurück zum Zitat Kita, H., Ye, S., Aramata, A., Furuya, N.: Adsorption of hydrogen on platinum single crystal electrodes in acid and alkali solutions. J. Electroanal. Chem. Interfacial Electrochem. 295(1–2), 317–331 (1990)CrossRef Kita, H., Ye, S., Aramata, A., Furuya, N.: Adsorption of hydrogen on platinum single crystal electrodes in acid and alkali solutions. J. Electroanal. Chem. Interfacial Electrochem. 295(1–2), 317–331 (1990)CrossRef
Zurück zum Zitat Langkau, T., Baltruschat, H.: The rate of anion and hydrogen adsorption on Pt(111) and Rh(111). Electrochim. Acta. 44, 909–918 (1998)CrossRef Langkau, T., Baltruschat, H.: The rate of anion and hydrogen adsorption on Pt(111) and Rh(111). Electrochim. Acta. 44, 909–918 (1998)CrossRef
Zurück zum Zitat Li, Q., Jensen, J., Savinell, R., Bjerrum, N.: High temperature proton exchange membranes based on polybenzimidazoles for fuel cells. Prog. Polym. Sci. 34, 449–477 (2009)CrossRef Li, Q., Jensen, J., Savinell, R., Bjerrum, N.: High temperature proton exchange membranes based on polybenzimidazoles for fuel cells. Prog. Polym. Sci. 34, 449–477 (2009)CrossRef
Zurück zum Zitat Markovic´, N., Schmidt, T., Stamenkovi, V., Ross, P.: Oxygen Reduction Reaction on Pt and Pt Bimetallic Surfaces: A Selective Review, Fuel Cells, 1, 2, 105–116, (2001) Markovic´, N., Schmidt, T., Stamenkovi, V., Ross, P.: Oxygen Reduction Reaction on Pt and Pt Bimetallic Surfaces: A Selective Review, Fuel Cells, 1, 2, 105–116, (2001)
Zurück zum Zitat Nart, F., Iwasita, T.: On the adsorption of and on platinum: an in situ FT-ir study. Electrochim. Acta. 37(3), 385–391 (1992)CrossRef Nart, F., Iwasita, T.: On the adsorption of and on platinum: an in situ FT-ir study. Electrochim. Acta. 37(3), 385–391 (1992)CrossRef
Zurück zum Zitat Scott, K., Pilditch, S., Mamlouk, M.: Modelling and experimental validation of a high temperature polymer electrolyte fuel cell. J. Appl. Electrochem. 37(11), 1245–1259 (2007)CrossRef Scott, K., Pilditch, S., Mamlouk, M.: Modelling and experimental validation of a high temperature polymer electrolyte fuel cell. J. Appl. Electrochem. 37(11), 1245–1259 (2007)CrossRef
Zurück zum Zitat Shalabi, K., Abdallah, Y., Hassan, H., Fouda, A.: Adsorption and corrosion inhibition of Atropa Belladonna extract on carbon steel in 1 M HCl solution. Int. J. Electrochem. Sci. 9, 1468–1487 (2014) Shalabi, K., Abdallah, Y., Hassan, H., Fouda, A.: Adsorption and corrosion inhibition of Atropa Belladonna extract on carbon steel in 1 M HCl solution. Int. J. Electrochem. Sci. 9, 1468–1487 (2014)
Zurück zum Zitat Sharma, R.: Chemistry of Chemical Bonding. Discovery Publishing House, New Delhi (2007) Sharma, R.: Chemistry of Chemical Bonding. Discovery Publishing House, New Delhi (2007)
Zurück zum Zitat Tan, J., Guo, L., Lv, T., Zhang, S.: Experimental and computational Evaluation of 3-indolebutyric Acid as a Corrosion Inhibitor for Mild Steel in Sulfuric Acid Solution. Int. J. Electrochem. Sci. 10, 823–837 (2015) Tan, J., Guo, L., Lv, T., Zhang, S.: Experimental and computational Evaluation of 3-indolebutyric Acid as a Corrosion Inhibitor for Mild Steel in Sulfuric Acid Solution. Int. J. Electrochem. Sci. 10, 823–837 (2015)
Zurück zum Zitat Tanaka, A., Adži, R., Nikoli, B.: Oxygen reduction on single crystal platinum electrodes in phosphoric acid solutions. J. Serberian Chem. Soc. 64(11), 695–705 (1999) Tanaka, A., Adži, R., Nikoli, B.: Oxygen reduction on single crystal platinum electrodes in phosphoric acid solutions. J. Serberian Chem. Soc. 64(11), 695–705 (1999)
Zurück zum Zitat Tersoff, J., D. Hamann: Theory of the Scanning Tunneling Microscope. Scanning Tunneling Microscopy pp. 59–67. Springer, Dordrecht, (1985) Tersoff, J., D. Hamann: Theory of the Scanning Tunneling Microscope. Scanning Tunneling Microscopy pp. 59–67. Springer, Dordrecht, (1985)
Zurück zum Zitat Tripkovi, V., Skúlason, E., Siahrostami, S., Nørskov, J., Rossmeisl, J.: The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations. Electrochemica Acta. 55, 7975–7981 (2010)CrossRef Tripkovi, V., Skúlason, E., Siahrostami, S., Nørskov, J., Rossmeisl, J.: The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations. Electrochemica Acta. 55, 7975–7981 (2010)CrossRef
Zurück zum Zitat Weber, M., Nart, F., de Moraes, I., Iwasita, T.: Adsorption of phosphate species on Pt(111) and Pt(100) as studied by in situ FTIR spectroscopy. J. Phys. Chem. 100, 19933–19938 (1996)CrossRef Weber, M., Nart, F., de Moraes, I., Iwasita, T.: Adsorption of phosphate species on Pt(111) and Pt(100) as studied by in situ FTIR spectroscopy. J. Phys. Chem. 100, 19933–19938 (1996)CrossRef
Zurück zum Zitat Yan, L., Zhu, S., Ji, X., Lu, W.: Proton hopping in phosphoric acid solvated NAFION membrane: a molecular simulation study. J. Phys. Chem. B. 111, 6357–6363 (2007)CrossRef Yan, L., Zhu, S., Ji, X., Lu, W.: Proton hopping in phosphoric acid solvated NAFION membrane: a molecular simulation study. J. Phys. Chem. B. 111, 6357–6363 (2007)CrossRef
Metadaten
Titel
Adsorption of phosphoric acid anions on platinum (111)
verfasst von
Lynndle C. Square
Christopher J. Arendse
Theophillus F. G. Muller
Publikationsdatum
13.10.2017
Verlag
Springer US
Erschienen in
Adsorption / Ausgabe 7-8/2017
Print ISSN: 0929-5607
Elektronische ISSN: 1572-8757
DOI
https://doi.org/10.1007/s10450-017-9912-3

Weitere Artikel der Ausgabe 7-8/2017

Adsorption 7-8/2017 Zur Ausgabe

    Marktübersichten

    Die im Laufe eines Jahres in der „adhäsion“ veröffentlichten Marktübersichten helfen Anwendern verschiedenster Branchen, sich einen gezielten Überblick über Lieferantenangebote zu verschaffen.