Keith McKenna

A postdoc position is now available in my group at York. The role will focus on modelling the structure and properties of extended defects in hybrid metal-halide perovskites using first-principles approaches. For more details and to apply see: jobs.york.ac.uk/vacancy/resear…

Thrilled to see our #photovoltaics roadmap now published in @JPhysEnergy! Fantastic collaborative effort among >80 people, primarily from the UK PV community. Well done to the many people involved! iopscience.iop.org/article/10.108…

@molinaluna_aem @REilhardt @TUDarmstadt Congratulations Robert! Well deserved.

Very proud of @REilhardt for defending his excellent PhD thesis today! Congratulations 🎉🍾What a great day for the @molinaluna_aem group at @TUDarmstadt

A review of complementary first principles materials modeling and electron microscopy approaches for investigating the structure and properties of grain boundaries in polycrystalline energy materials. @MMMGroupYork @UoY_PET @ChemistryNCL @RenewPV_Network aippub.org/3UnrosW

A fully funded PhD studentship is available within the York CDT in Sustainable Materials for Net Zero to work on the discovery of new sustainable permanent magnets using predictive materials modelling. Deadline 30/06/24. @UoY_PET @SusMatZeroCDT findaphd.com/phds/project/d…

📢Abstract submission is now open for the Nanoscience@Surfaces Summer School at York on 22-25 July. Featuring invited talks in a wide range of topics in surface science, poster presentations, and commercial exhibitors. Submit your abstract by July 8th! iop.eventsair.com/nsss2024/

Next wednesday afternoon (13/03) we have a @tyc_london seminar here @ucl by Keith McKenna (@MMMGroupYork) from York on understanding extended defects in energy materials through first-principles calculations and electron microscopy. thomasyoungcentre.org/event/tyc-semi…

In this work from @BGMendis, @MMMGroupYork, @SuperSTEM_UK, @ConMajor, @DuroseKen, and team, experiment and theory suggest that Sb2Se3 is intrinsically tolerant to defects at grain boundaries, a key requirement for highly efficient thin-film photovoltaics go.aps.org/3Uzj0Z3

In this review we highlight how electron microscopy and first principles modelling are powerful complementary tools for understanding properties of grain boundaries in polycrystalline energy materials. Thanks to all co-authors! @jquirk_cmt @MathiasThinks doi.org/10.1063/5.0175…

In this study led by Chuanjia Tong (Central South University, Changsha) the role of different types of Cu-Zn disorder in CZTSSe is investigated by DFT and NAMD simulations. t.ly/U2GF-

In this collaboration with @TilleyLab and @WooseokYang1, led by @PardisAdams, we investigated chemical modification of Sb2Se3 for improved performance of water splitting photocathodes doi.org/10.1002/adfm.2…

In the first publication of his PhD Alex Armstrong investigated how uniaxial strain modifies the electronic properties of the 2D materials MoS2 and TiS3 with latter exhibiting significant directional dependence correlated with its anisotropic structure doi.org/10.1088/1361-6…

A remarkably coherent and electronically benign interface between FAPbI3 and a 3R polytype of PbI2 is identified in this nice collaboration with the groups of Michael Johnston, Laura Herz and Peter Nellist @MathiasThinks @OxfordMaterials t.ly/yshxh

@jquirk_cmt led this very nice work investigating the role of small hole polarons in recombination processes in TiO2, finding nonradiative recombination to be significantly enhanced at grain boundaries. go.aps.org/3nl1sSo

In this study we experimentally tested our prediction that incorporating Zr into surfaces of nanocrystalline anatase TiO2 should reduce electron trapping and successfully demonstrated an improvement in charge carrier mobility. t.ly/kPU4I

I’ve been a bit rubbish at posting papers on here when they get published so in the next few tweets I will post a selection from the last year.

@scanlond81 @Kavanagh_Sean_ @UCLChemistry @lonepair @bkoz37 @Materials_Intel Exceptional thesis and a pleasure to examine. Congratulations @Kavanagh_Sean_ and best wishes for the future!

End of an era, as @Kavanagh_Sean_ has passed his PhD Viva @UCLChemistry. Thanks to @MMMGroupYork and Richard Catlow for examining. Pictured here is Seán with proud co-supervisor @lonepair, Keith, and myself. He is off to join @bkoz37 and the @Materials_Intel group in Harvard.

A fully funded PhD studentship is available within the York CDT in Sustainable Materials for Net Zero to work on the discovery of new sustainable permanent magnets using predictive materials modelling. Deadline 03/01/24. @UoY_PET @SusMatZeroCDT t.ly/rYk9K

A RenewPV joint WG2/WG5 meeting will be on 12-13 September in Berlin. Present your research in need of input from modelling and/or materials/device characterisation. Interested? Fill out the EOI form: 👉 forms.gle/ECNBDB4aytCGyG… by Aug 7. ~20 reimbursement places available.

PLEASE RETWEET: I have a 4-year PhD studentship available @UoBChemistry on using #compchem to find new wide band gap oxides for optoelectronic applications. Want to increase efficiency in solar cells and power electronics, then this is for you! tinyurl.com/3nrb5tka