A1 Journal article (refereed)
Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials (2019)


Melander, M., Kuisma, M., Christensen, T. E. K., & Honkala, K. (2019). Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials. Journal of Chemical Physics, 150 (4), 041706. doi:10.1063/1.5047829


JYU authors or editors


Publication details

All authors or editors: Melander, Marko; Kuisma, Mikael; Christensen, Thorbjørn Erik Køppen; Honkala, Karoliina

Journal or series: Journal of Chemical Physics

ISSN: 0021-9606

eISSN: 1089-7690

Publication year: 2019

Volume: 150

Issue number: 4

Article number: 041706

Publisher: AIP Publishing LLC

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1063/1.5047829

Open Access: Publication channel is not openly available

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/60925


Keywords: thermodynamics; density functional theory; catalysis; interfacial phenomena

Free keywords: solid-liquid interfaces


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Other organizations:


Related projects


Ministry reporting: Yes

Reporting Year: 2019

JUFO rating: 1


Last updated on 2020-18-10 at 20:26