Probing Multidimensional Metal Halides at the X-site using 79/81Br NMR, NQR, and DFT

Riley Hooper – @RileyHooper97

In case you missed it at Euromar, here is some of our latest work investigating the X-site of cesium lead bromides using Bromine NMR, NQR, and DFT. Also out now in JMR! https://t.co/ucld1JGu87 #GlobalnmrTC2023 pic.twitter.com/ax0J9UguyW

— Riley (@RileyHooper97) July 19, 2023

Metal halide materials offer optoelectronic tunability through compositional variation but feature complicated phase behaviour and dynamic properties, with the halide site being integral to such behaviour. We use bromine NMR, NQR, and DFT to study a series of cesium lead bromides and extend these insights to the analogous Cl/I materials.