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surfinpy: A surface phase diagram generator

Symington, Adam R.; Tse, Joshua; Molinari, Marco; Marmier, Arnaud; Parker, Stephen C.

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Authors

Adam R. Symington

Joshua Tse

Marco Molinari

Arnaud Marmier Arnaud.Marmier@uwe.ac.uk
Senior Lecturer in Mechanical Engineering

Stephen C. Parker



Abstract

A surface phase diagram is a graphical representation of the different physical states of a surface under different conditions. The surface represents the first point of contact between the material and the environment. Thus, understanding the state of surface is crucial for a wide range of problems in materials science concerning the relationship between the state of the surface and the surrounding environmental condtions. Examples include particle morphologies in solid state batteries;1 determining the concentration of adsorbed water at a surface depending on synthesis conditions2;3 catalytic reactions;4 or determing the effect of
dopants and impurities on the surface stability.

Citation

Symington, A. R., Tse, J., Molinari, M., Marmier, A., & Parker, S. C. (2019). surfinpy: A surface phase diagram generator. Journal of Open Source Software, 4(34), 1210. https://doi.org/10.21105/joss.01210

Journal Article Type Article
Acceptance Date Feb 20, 2019
Publication Date Feb 20, 2019
Deposit Date Apr 26, 2019
Publicly Available Date Apr 26, 2019
Journal Journal of Open Source Software
Publisher Open Journals
Volume 4
Issue 34
Pages 1210
DOI https://doi.org/10.21105/joss.01210
Public URL https://uwe-repository.worktribe.com/output/852085
Publisher URL https://doi.org/10.21105/joss.01210
Related Public URLs https://doi.org/10.21105/joss.01210
https://github.com/symmy596/SurfinPy
https://doi.org/10.5281/zenodo.2573647

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