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), Article 041706. https://doi.org/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

Publication open access: Not open

Publication channel open access: 

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

Contributing organizations

Related projects

Ministry reporting: Yes

VIRTA submission year: 2019

JUFO rating: 1