Irea Mosquera
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ireaml.bsky.social
Irea Mosquera
@ireaml.bsky.social
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PhD researcher working on energy materials at Imperial College London
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Reposted by Irea Mosquera
aronwalsh.github.io
Machine learning force fields make once-costly #CompChem problems tractable. Here, we tackle temperature-activated defect dynamics. I learned a lot w/ @ireaml.bsky.social & Johan on this project (discussions got deep).

#OpenAccess in @chemicalscience.rsc.org this week: pubs.rsc.org/en/content/a...
Graphic abstract with the text "Defect free energy" and illustrations of four entropy components that are studied in the paper
April 24, 2025 at 7:00 AM
Reposted by Irea Mosquera
aronwalsh.github.io
There are many sides to "defect tolerance" in metal halide perovskite solar cells 🛑. Our discussions with @hoyegroupox.bsky.social led to a new review in @natrevchem.bsky.social led by @ireaml.bsky.social. Out today #ChemSky: rdcu.be/egK3Z
Illustrative map of the theoretical power conversion efficiency (PCE) of a single junction solar cell, depending on the capture coefficient (C_defect) and concentration ([Defect]) of point defects in the bulk of the absorber material.
April 7, 2025 at 7:47 PM