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grand canonical

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2 results in Keywords: grand canonical

Physical Chemistry

Grand-Canonical Approach to Density Functional Theory of Electrocatalytic Systems: Thermodynamics of Solid-Liquid Interfaces at Constant Ion and Electrode Potentials

Marko Melander, Mikael Kuisma, Thorbjørn Christensen, Karoliina Honkala

Version 2 posted 04 September 2018

1,801

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Physical Chemistry

Constant inner potential DFT for modelling electrochemical systems under constant potential and bias

Marko Melander, Tongwei Wu, Karoliina Honkala

Version 3 posted 01 March 2023

1,320

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6

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