News

Liquid-like lithium dynamics in a crystalline electrolyte for solid-state batteries. Delaire group research at Duke. Illustration credits: Phoenix Pleasant ORNL/DOE.

| https://pratt.duke.edu/news/liquid-like-molecular-dynamics-power-solid-battery-materials/

Nature Physics paper on liquid-like dynamics of lithium ions in solid-state battery material Li6PS5Cl

Our recent results investigated the atomic dynamics and fast diffusion mechanism of lithium ions in the crystalline solid-state electrolyte Li6PS5Cl, and were published in Nature Physics.

Welcome Harvey to our group, working on solid-state batteries

Welcome Harvey Hongwei Zhang to our group! Harvey just started his MS degree at Duke and is interested in novel materials for future solid-state batteries.

Thanks to REU student Cecelia Barr

We had the privilege of hosting Cecelia Barr, undergraduate student from Northwestern University, to work in our group this summer as part of the Triangle REU program on hybrid organic-inorganic perovskite materials. Cecelia was working with Patrick...

New publications in Nature Materials and Nature Physics

Our group recently published new papers investigating atomic dynamics in two exciting classes of materials! Our work on the superionic silver argyrodite Ag8SnSe6 revealed its extreme phonon anharmonicity, which accounts for the ultralow thermal...

Congratulations Hung-Min on passing your preliminary exam!

Yesterday, during his preliminary exam, he gave a great presentation detailing his research on Na superionic conductors. We look forward to seeing what else you achieve as the group's newest PhD candidate!

Welcome Aiden, Kevin, Patrick, Tianhao and Tyler!

The Delaire group is excited to be welcoming a roster of talented new grad students this Fall: Welcome Aiden, Kevin, Patrick, Tianhao and Tyler!!!

Congratulations Jingxuan, Shan and Xing on Graduation!!!

Congratulations to Jingxuan Ding, Shan Yang and Xing He on successfully defending your PhD and graduating this past Spring/Summer!!! (photo: in front of Duke Chapel with former PhD student Tyson Lanigan-Atkins) We look forward to your future achievements...

Mayank's paper on superionic argyrodite Cu7PSe6

Mayank's paper investigating fast ion diffusion in argyrodite Cu7PSe6 with DFT, machine-learning MD, and neutron scattering was published in Advanced Energy Materials earlier this summer. Congrats Mayank! Strongly Anharmonic Phonons and Their Role in...

Bander is Energy Data Analytics Ph.D. Fellow

Congratulations Bander on getting selected to the 2022 cohort of Energy Data Analytics Ph.D. Fellows!

Discovery of unusual two-dimensional atomic fluctuations in photovoltaic halide perovskite materials

Our group, in collaboration with Argonne National Lab, Oak Ridge National Lab and Northwestern University recently reported the discovery of unusual two-dimensional atomic fluctuations in CsPbBr3 in Nature Materials: https://www.nature.com/articles/...

Congratulations Dr. Tyson Lanigan-Atkins!

Congratulations to Tyson for successfully defending this PhD thesis! (belated website update) Congrats Dr. Lanigan-Atkins and looking forward to hearing about your next achievements. Come back and visit us :)

Origins of ultralow thermal conductivity in novel Mg-based thermoelectrics

Our study of the atomistic origins of the beneficial ultralow thermal conductivity in novel Mg-based thermoelectrics with Zintl structure Mg3Sb2 and Mg3Bi2 was recently published in Science Advances. Congratulations to Jingxuan who led this study! The...

Study of anharmonic phonons in thermoelectrics SnS and SnSe published in Nature Communications

Our study of anharmonic phonons in the thermoelectric compounds SnS and SnSe across their high-temperature phase transition was published in Nature Communications. Our group mapped the phonon dispersions and lifetimes in crystals with inelastic neutron...

Paper on FeS published in Nature Physics

Our paper investigating the role of phonons and magnons in the metal-insulator transition in hexagonal iron sulfide was published in Nature Physics: Magnetically driven phonon instability enables the metal–insulator transition in h-FeS These results...

Study of phonon anharmonicity in SrTiO3 published in Phys. Rev. Letters

Our paper on anharmonic phonons in the quantum paraelectric material SrTiO3 was published online in Physical Review Letters. Congrats to Xing! Link to paper   --------- Abstract: Pronounced anomalies in the SrTiO3 dynamical structure factor, S(Q,E),...