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PLEASE RETWEET: There is 1 week to go to apply for three #compchem positions at UoBChemistry. Two Associate Professor positions (tinyurl.com/43t7jkdn) and one Assistant Professor position (tinyurl.com/49uhryws). Why should you apply to join the Birmingham revolution?

Y2Ti2O5S2 is of interest for photocatalysis. But does anyone actually understand the surface chemistry of this complex system? Or its optical properties? Here Katarina Brlec and Chris Savory throw the #compchem kitchen sink at it to understand it better: tinyurl.com/yr32pstv

First paper of the PhD is finally out 🎉 It was great to collaborate with so many on it! Would like to thank all the feedback received on the preprint and from the reviewers, the comments really helped to improve it! CDT_ACM

New Paper: Tired of disorder and killer defects ruining your kesterite solar cells? Why not check out Cu2SiSe3 instead as a simpler and potentially defect tolerant photovoltaic absorber UCL Chemistry CDT_ACM doi.org/10.1039/D3TA02…

Andrea Scarperi's Andrea Scarperi first EUROMAR @euromar2023 - very well done on your poster & flash talk! Andrea has shown 125Te solid-state MAS #NMR of tellurium halide perovskites, a great collaborative project with Robert Palgrave. Way to go Andrea!

Defect calculations are often performed at 0 K - yet finite temperature effects can be important!🌡️ Explored in our Tutorial Review targeting the main contributions to defect free energies - with Seán Kavanagh Kasper Tolborg Johan Klarbring & Aron arxiv.org/abs/2307.10451

It's been a busy seven days for my group. PhD #11 (Dr Joe Willis) and #12 (Dr Kieran Spooner) had their (virtual) vivas last week so no photos unfortunately. Today PhD #13 Dr Katarina Brlec passed her viva! Congrats Kat!! Thanks to Martijn Zwijnenburg and Steve Parker for examining!

For those interested in what I worked on before getting into materials, a very nice work is out on arxiv about setting bounds on physics beyond the SM ⚛️ It was started during my time at Durham and was developed further by my excellent supervisor Robert!! arxiv.org/abs/2309.03732

Adair Nicholson from the David Scanlon & Robert Palgrave groups giving the second talk of this afternoon's UCL Chemistry Ramsay Medal Symposium for the best graduating PhD student in the department on modelling mixed-anion mixed-cation photovoltaics #RamsayMedal23

Can keep the label physicist in my profile for now😅 Super thankful for the experience and words of wisdom I received during my time up north which helped shape me as a researcher ⚛️

First preprint of 2024, excellent work from visiting CSC student Wenzhen, Seán Kavanagh and Kieran Spooner on understanding the importance of orbital engineering for new high performance thermoelectrics. tinyurl.com/3xkrh5ca UoBChemistry UoB Advanced Research Computing (BEAR) ARCHER2 HPC Service

A great mentor and a great friend 🎉

New group paper out in PCCP, Eimear Madden's first, in which we discuss what GW-BSE & TDDFT calculations tell us about how the optical & electronic properties of hydrogenated silicon nanoparticles change with particle size doi.org/10.1039/D4CP00…

Our comprehensive i̶n̶-̶h̶o̶u̶s̶e̶ defect modelling python package 𝙙𝙤𝙥𝙚𝙙 is now fully live!⚛️ 𝙙𝙤𝙥𝙚𝙙 implements the defect simulation workflow in an efficient and user-friendly, yet powerful and fully-flexible, manner. See 🧵 for features (1/n) doi.org/10.21105/joss.…

En route to Seattle for #S24MRS. If you want to check out the group's work from UoBChemistry, and some SMTG alumni and adopted family's work, see attached pic for details!

Just out J. Am. Chem. Soc., a thermoelectric material Sc2Si2Te6 which benefits from a large band degeneracy, greatly increasing power factor. tinyurl.com/2xyhh962. Great #compchem analysis by visiting CSC student Wenzhen Dou, Kieran Spooner and Seán Kavanagh. UoBChemistry

Congratulations to Eimear (Eimear Madden) for winning the Catlow prize for the best computational chemistry talk at last week's UCL Chemistry Post Graduate Research Symposium

PLEASE SHARE: Calling all perovskite lovers! I am looking for a PostDoc position. My PhD has focused on #LeadFree #perovskite thin-films for #SolarCells. I am an expert in thin-film/solar cell fabrication and characterisation (JV, EQE, impedance, XRD, JV, PL/TCSPC).

Like a fine parmesan cheese, 18 months later we have something beautiful 🧀 If you’re interested in XPS analysis on Sn halide perovskites, enjoy our hot off the press preprint! 🔬 Big thanks to everyone involved getting this over the line 🎉

This thread is the reason that posts and conversations about biodiversity and conservation are so important: 13,000 people liked a thread that is celebrating species extinction and environmental destruction. It’s just so disappointing.