Skip to main content
SpringerLink
Log in

Adsorption of phosphoric acid anions on platinum (111)

  • Published:
Adsorption Aims and scope Submit manuscript

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.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7

Similar content being viewed by others

References

  • Accelrys: Materials Studio Release Notes. Accelrys Software Inc, San Diego (2011)

    Google Scholar 

  • 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)

  • 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)

    Article  CAS  Google Scholar 

  • Dupuis, A.: Proton exchange membranes for fuel cells operated at medium temperatures: materials and experimental techniques. Prog Mater Sci. 289–327, (2010)

  • 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)

    CAS  Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

  • 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

  • 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)

    Article  CAS  Google Scholar 

  • 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)

    Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

  • 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)

  • 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)

    Article  CAS  Google Scholar 

  • 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)

    CAS  Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

  • Langkau, T., Baltruschat, H.: The rate of anion and hydrogen adsorption on Pt(111) and Rh(111). Electrochim. Acta. 44, 909–918 (1998)

    Article  CAS  Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

  • 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)

  • Nart, F., Iwasita, T.: On the adsorption of and on platinum: an in situ FT-ir study. Electrochim. Acta. 37(3), 385–391 (1992)

    Article  CAS  Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

  • 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)

    Google Scholar 

  • Sharma, R.: Chemistry of Chemical Bonding. Discovery Publishing House, New Delhi (2007)

    Google Scholar 

  • 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)

    CAS  Google Scholar 

  • 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)

    CAS  Google Scholar 

  • Tersoff, J., D. Hamann: Theory of the Scanning Tunneling Microscope. Scanning Tunneling Microscopy pp. 59–67. Springer, Dordrecht, (1985)

    Google Scholar 

  • 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)

    Article  Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

  • 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)

    Article  CAS  Google Scholar 

Download references

Acknowledgements

The authors acknowledge the financial assistance of the South African National Research Foundation (Grant Unique Numbers: 82097, 93212, 92520, 71001), HySA Systems Competence Centre, South African Institute of Advanced Materials Chemistry and Centre for High Performance Computing for their resources and national license.

Author information

Authors and Affiliations

  1. Department of Physics and Astronomy, University of the Western Cape, Private Bag X17, Bellville, 7535, South Africa

    Lynndle C. Square, Christopher J. Arendse & Theophillus F. G. Muller

  2. HySA Systems Competence Center, South African Institute of Advanced Materials Chemistry, University of the Western Cape, Private Bag X17, Bellville, 7535, South Africa

    Lynndle C. Square

Authors
  1. Lynndle C. Square
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Christopher J. Arendse
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Theophillus F. G. Muller
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding authors

Correspondence to Lynndle C. Square or Christopher J. Arendse.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Square, L.C., Arendse, C.J. & Muller, T.F.G. Adsorption of phosphoric acid anions on platinum (111). Adsorption 23, 971–981 (2017). https://doi.org/10.1007/s10450-017-9912-3

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10450-017-9912-3

Keywords

Search

Navigation