David Scanlon

To all friends of chemical bonding: there was a comment on our recent bonding analysis in phase-change chalcogenides, to which we have written a reply. All such materials have electron-rich multicenter bonds with ½ bond orders, but QTAIM (a density-chopping method) doesn't get it…

In @Nature, Dongsheng Zheng, Dan Tong, Qiang Zhang, and colleagues outline strategies for developing #WindEnergy and #SolarEnergy systems resilient to future #ClimateChange — including addressing supply-demand imbalances enhancing system flexibility. nature.com/articles/s4158…

Researchers demonstrate a thermoelectric spin valve that operates at cryogenic temperatures using a ferromagnet/superconductor/ferromagnet heterojunction based on commercially-available materials. go.aps.org/3IOpM9p

This study was conducted by Sevan Gharabeiki and Susanne Siebentritt at the University of Luxembourg and colleagues at @LIST_Luxembourg and @Cambridge_Uni.

Using advanced modeling and spectroscopy, the authors show that band-gap gradients, which are used to reduce non-radiative recombination at contacts, are a major contributor to radiative open-circuit voltage losses in solar cells. go.aps.org/4l04145

Introducing Open Reports, a transparent peer review pilot program to illuminate the peer review process, reduce bias, and recognize reviewers. Authors and reviewers can opt into the process upon submission starting July 24. Learn more: go.aps.org/4kOLszz

#ICYMI: Optical absorption, Hall measurements, and X-ray spectroscopy experiments show that annealing BaZrS3 thin films in a sulfur-deficient atmosphere introduces sulfur vacancies that transform the material from highly insulating to n-type conductive. go.aps.org/4nHSY20

A warm welcome to Christine Stawitz, who joins us as our new Senior Research Software Engineer and Manager!💻 We're so pleased to have Christine on board — bringing her energy, expertise, and leadership to our growing team. Exciting times ahead! ☕ ^YZ #RSE #newstarter

In @Nature, Chengyu Xiao, Yuebing Zheng, Di Zhang, Cheng-Wei Qiu, Han Zhou, and colleagues propose a generalizable #MachineLearning framework for designing high-performing ultrabroadband and band-selective nanophotonic meta-emitters. nature.com/articles/s4158…

In @RSC_Energy’s Energy & Environmental Science, Junke Wang, @ShuaifengH, Zehua Chen, @SnaithGroup, @wakamiyalab, and colleagues find that crystal termination is key for improving performance in wide-bandgap #perovskites for tandem #solar cells. pubs.rsc.org/en/content/art…

In @ScienceMagazine, Sun Geun Yoon, Matthew McDowell, and colleagues show that alloying lithium with sodium in #SolidState batteries improves electrical contact and eliminates the need for high pressure to address voids at the solid-electrolyte interface. science.org/doi/10.1126/sc…

In @ScienceMagazine, Shaoyun Hao, Ahmad Elgazzar, Haotian Wang, and colleagues show how salt precipitation that leads to clogging in the #cathode chamber during electrochemical #CO2 reduction can be avoided by incorporating trace amounts of volatile acid. science.org/doi/10.1126/sc…

🚨New #JournalClub alert! 🚨 Check out our editors’ picks for some of the most compelling #energy research of the month: improved electrochemical CO2 conversion, #climate-resilient #RenewableEnergy systems, and more. Let’s get started! 🧵👇

This study was conducted by Tao Song, Nikos Kopidakis, and colleagues at @NREL.

To improve the reliability of multi-junction #SolarCell characterization across different performance testing setups, researchers develop a method to calibrate LED-based solar simulators. go.aps.org/44FPhlX

Chemistry at @unibirmingham is in the top 3 in the Russell Group for four themes in The National Student Survey 2025, including being 1st in the Russell Group for 'Assessment and Feedback'. @officestudents @UoBChemistry

Using a comprehensive experimental and computational approach, researchers analyze the intrinsically low thermal conductivity of solid ionic conductor LLZTO, a promising electrolyte for all-solid-state batteries. go.aps.org/3TL3rvP

This study was conducted by Yitian Wang and Xi Chen at @UCRiverside and colleagues at INMA, @Empa_CH, ETH Zürich, @UTAustin, @ORNL, and @tu_wien.

This study was conducted by Pablo Tuero and Farkhad Aliev at @UAM_Madrid and colleagues at Norwegian University of Science and Technology and @Univ_Lorraine.

I think this shows exciting potential for MLFFs in defect modelling, but with caveats... they fail dramatically for non-fully-ionised charge states where localisation matters! They work here due to the enormous configuration space but with relatively simple underlying energetics