Abstract
To understand the mechanism of an electrochemical reaction, it is useful to reveal the atomic-scale details occurring on a model catalyst, such as a well-defined Pt(111) surface. The study using the model catalyst is strongly assisted today by the first-principles simulations, which has been originally developed for solid-state physics. As such, the method is not perfectly suited for a realistic electrochemical simulation and thus needs modification. This chapter explains recent advances in electrochemical simulation methods as well as demonstrations performed on noble metal—solution interfaces.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Itaya K (1998) Prog Surf Sci 58:121–247
Koper MTM (2005) J Electrochem Chem 574:375–386
Hohenberg P, Kohn W (1964) Phys Rev B 136:864–871
Hedin L (1965) Phys Rev A 139:796–823
Car R, Parrinello M (1995) Phys Rev Lett 55:2471–2474
Eichler A, Mittendorfer F, Hafner J (2000) Phys Rev B 62:4744–4755
Nørskov JK, Bligaard T, Rossmeisl J, Christensen CH (2009) Nat Chem 1:37–46
Tomasi J, Mennucchi B, Cammi R (2005) Chem Rev 105:2999–3094
Scherlis DA et al (2006) J Chem Phys 124:074103 (12 pages)
Jinnouchi R, Anderson AB (2008) Phys. Rev. B 77:245417
Wang H-F, Liu Z-P (2009) J Phys Chem 113:17502–17508
Otani M et al (2008) J Phys Soc Jpn 77:024802
Ataka K, Yotsuyanagi T, Osawa M (1996) J Phys Chem 100:10664–10672
Anderson AB, Albu TV (1999) J Am Chem Soc 121:11855–11863
Gouy G (1910) Compt Rend 149:654
Chapman DL (1913) Philos Mag 25:475
Skúlaason E et al (2010) J Phys Chem C 114:18182–18197
Ando Y, Gohda Y, Tsuneyuki S (2012) Chem Phys Lett 556:9–12
Bonnet N, Morishita T, Sugino O, Otani M (2012) Phys Rev Lett 109:266101
Okamoto Y, Sugino O (2010) J Phys Chem C 114:4473–4478
Bonnet N, Sugino O, Otani M (2014) J Phys Chem C 118:13638–13643
Stamenkovic VR et al (2002) J Phys Chem B 106:11970
Parthasarathy A et al (1992) J Electrochem Soc 139:2856
Jia Q et al (2014) J ElectroChim Soc 161:F1323–F1329
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2016 Springer International Publishing Switzerland
About this chapter
Cite this chapter
Sugino, O. (2016). Physical Model at the Electrode-Electrolyte Interface. In: Sugiyama, M., Fujii, K., Nakamura, S. (eds) Solar to Chemical Energy Conversion. Lecture Notes in Energy, vol 32. Springer, Cham. https://doi.org/10.1007/978-3-319-25400-5_6
Download citation
DOI: https://doi.org/10.1007/978-3-319-25400-5_6
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-25398-5
Online ISBN: 978-3-319-25400-5
eBook Packages: EnergyEnergy (R0)