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surfinpy: A surface phase diagram generator

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

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
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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