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[PRE REVIEW]: py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations #4925

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editorialbot opened this issue Nov 11, 2022 · 23 comments
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[PRE REVIEW]: py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations #4925

editorialbot opened this issue Nov 11, 2022 · 23 comments
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@rkurchin @hongzhouye @agoyal06
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pre-review Python TeX Track: 2 (BCM) Biomedical Engineering, Biosciences, Chemistry, and Materials

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editorialbot commented Nov 11, 2022 •
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Submitting author: @alexsquires (Alexander G. Squires)
Repository: https://github.com/bjmorgan/py-sc-fermi
Branch with paper.md (empty if default branch):
Version: 0.3.1
Editor: @rkurchin
Reviewers: @hongzhouye, @agoyal06
Managing EiC: Kevin M. Moerman

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status

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HTML: <a href="https://joss.theoj.org/papers/2fa8b3d80281c36371472485adbc83e7"><img src="https://joss.theoj.org/papers/2fa8b3d80281c36371472485adbc83e7/status.svg"></a>
Markdown: [![status](https://joss.theoj.org/papers/2fa8b3d80281c36371472485adbc83e7/status.svg)](https://joss.theoj.org/papers/2fa8b3d80281c36371472485adbc83e7)

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Thanks for submitting your paper to JOSS @alexsquires. Currently, there isn't a JOSS editor assigned to your paper.

@alexsquires if you have any suggestions for potential reviewers then please mention them here in this thread (without tagging them with an @). In addition, this list of people have already agreed to review for JOSS and may be suitable for this submission (please start at the bottom of the list).

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@editorialbot editorialbot added pre-review Track: 2 (BCM) Biomedical Engineering, Biosciences, Chemistry, and Materials labels Nov 11, 2022
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Hello human, I'm @editorialbot, a robot that can help you with some common editorial tasks.

For a list of things I can do to help you, just type:

@editorialbot commands

For example, to regenerate the paper pdf after making changes in the paper's md or bib files, type:

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Software report:

github.com/AlDanial/cloc v 1.88  T=2.00 s (18.0 files/s, 128498.4 lines/s)
-------------------------------------------------------------------------------
Language                     files          blank        comment           code
-------------------------------------------------------------------------------
XML                              1              0              0         252860
Python                          14            377            569           1693
Jupyter Notebook                 2              0            847            260
TeX                              1             21              0            248
YAML                             6              6              6            187
reStructuredText                 7             66             53            125
Markdown                         2             28              0            104
DOS Batch                        1              8              1             26
make                             2              8             14             18
-------------------------------------------------------------------------------
SUM:                            36            514           1490         255521
-------------------------------------------------------------------------------


gitinspector failed to run statistical information for the repository

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Wordcount for paper.md is 986

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👉📄 Download article proof 📄 View article proof on GitHub 📄 👈

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Reference check summary (note 'MISSING' DOIs are suggestions that need verification):

OK DOIs

- None

MISSING DOIs

- 10.1039/d0ee00291g may be a valid DOI for title: Upper limit to the photovoltaic efficiency of imperfect crystals from first principles
- 10.1039/b300139n may be a valid DOI for title: Complex oxides: high temperature defect chemistry vs. low temperature defect chemistry
- 10.26434/chemrxiv-2021-1lw5t may be a valid DOI for title: Defect chemistry and doping of BiCuSeO
- 10.1021/acsenergylett.7b01313.s001 may be a valid DOI for title: Identification of Killer Defects in Kesterite Thin-Film Solar Cells
- 10.1021/acs.inorgchem.1c00278.s001 may be a valid DOI for title: Impact of Solution Chemistry on Growth and Structural Features of Mo-Substituted Spinel Iron Oxides
- 10.1039/d1tc02547c may be a valid DOI for title: Latest directions in p-type transparent conductor design
- 10.1016/j.commatsci.2022.111434 may be a valid DOI for title: DefAP: A Python code for the analysis of point defects in crystalline solids
- 10.1016/j.cpc.2019.06.017 may be a valid DOI for title: Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy
- 10.1038/s41524-022-00756-0 may be a valid DOI for title: An extended computational approach for point-defect equilibria in semiconductor materials
- 10.1016/j.cpc.2021.107946 may be a valid DOI for title: Spinney: Post-processing of first-principles calculations of point defects in semiconductors with Python
- 10.26434/chemrxiv-2021-hhc4x may be a valid DOI for title: Computational design of thermoelectric alloys through optimization of transport and dopability
- 10.1038/s41578-022-00433-0 may be a valid DOI for title: Electronic defects in metal oxide photocatalysts
- 10.1021/acsenergylett.1c00380.s001 may be a valid DOI for title: Rapid Recombination by Cadmium Vacancies in CdTe
- 10.1038/s41578-018-0026-7 may be a valid DOI for title: Point defect engineering in thin-film solar cells
- 10.1021/acs.chemmater.8b01135.s001 may be a valid DOI for title: Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI

INVALID DOIs

- None

@rkurchin
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@openjournals/bcm-eics, this is very much in my wheelhouse and I have another manuscript about to finish, so I'd be happy to edit this one!

@Kevin-Mattheus-Moerman
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@rkurchin fantastic. Yes I'll assign you now.

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@editorialbot assign @rkurchin as editor

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Assigned! @rkurchin is now the editor

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👋 @xwang862 and @JackTyson, would you be willing to review this submission for JOSS? We carry out our checklist-driven reviews here in GitHub issues and follow these guidelines: https://joss.readthedocs.io/en/latest/review_criteria.html

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Thanks for inviting. Unfortunately I won't have time to review it at this moment. I would recommend my colleague @hongzhouye, who is an expert in electronic structure theory and materials modeling.

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No problem, @xwang862, thanks for letting me know. @hongzhouye, if you're available, we'd be happy to have you as a reviewer!

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👋 @agoyal06, hope your new job is treating you well! Would you be willing to review this submission for JOSS? We carry out our checklist-driven reviews here in GitHub issues and follow these guidelines: https://joss.readthedocs.io/en/latest/review_criteria.html

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agoyal06 commented Nov 19, 2022 via email

@hongzhouye
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hongzhouye commented Nov 19, 2022 via email

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@editorialbot add @hongzhouye as reviewer

@hongzhouye, thanks! Once we finalize the list of reviewers, a new issue will be opened ([REVIEW] instead of [PRE REVIEW]) and there will be instructions for generating and working through your checklist. At that point, I can also answer any other questions you have.

@agoyal06, ideally within a month or so if possible, would that be okay?

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@hongzhouye added to the reviewers list!

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hongzhouye commented Nov 21, 2022 via email

@agoyal06
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agoyal06 commented Nov 23, 2022 via email

@rkurchin
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@editorialbot add @agoyal06 as reviewer

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@agoyal06 added to the reviewers list!

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@editorialbot start review

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OK, I've started the review over in #4962.

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@agoyal06 agoyal06

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