doped: Python toolkit for robust and repeatable charged defect supercell calculations-Reference-Cited by-同舟云学术

doped: Python toolkit for robust and repeatable charged defect supercell calculations

Published:2024-04-15 Issue:96 Volume:9 Page:6433
ISSN:2475-9066
Container-title:Journal of Open Source Software
language:
Short-container-title:JOSS

Author:

Kavanagh Seán R.^ORCID,Squires Alexander G.^ORCID,Nicolson Adair^ORCID,Mosquera-Lois Irea^ORCID,Ganose Alex M.^ORCID,Zhu Bonan^ORCID,Brlec Katarina^ORCID,Walsh Aron^ORCID,Scanlon David O.^ORCID

Publisher

The Open Journal

Link

https://joss.theoj.org/papers/10.21105/joss.06433.pdf

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2. Giant Band Degeneracy via Orbital Engineering Enhances Thermoelectric Performance from Sb2Si2Te6 to Sc2Si2Te6;Dou;ChemRxiv,2024

3. Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination;Huang;Nature Communications,2022

4. Frenkel Excitons in Vacancy-Ordered Titanium Halide Perovskites (Cs2TiX6);Kavanagh;The Journal of Physical Chemistry Letters,2022

5. Impact of metastable defect structures on carrier recombination in solar cells;Kavanagh;Faraday Discussions,2022

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4. Computational Prediction of an Antimony-Based n-Type Transparent Conducting Oxide: F-Doped Sb₂O₅;Chemistry of Materials;2024-03-11