The term “structure-property relations”, while widely and somewhat casually used, is nevertheless powerfully at the origins of what we do as solid-state chemists. In this lecture, I will use some examples from our research to illustrate how subtle, and hard-to-see intricacies in structure, as monitored using a number of characterization techniques working in unison, allow us to understand the properties of materials; potentially the origins of high performance. I will use as illustrations, studies of phosphors for solid-state white lighting,[1,2] and pyrochlore compounds containing lone-pair active ions on the A site.[3,4] References: [1] K. A. Denault, J. Brgoch, M. Gaultois, A. Mikhailovsky, R. Petry, H. Winkler, S. DenBaars, and R. Seshadri, Consequences of optimal bond valence on structural rigidity and improved luminescence properties in SrxBa2–xSiO4:Eu2+ orthosilicate phosphors, Chem. Mater. 26 (2014) 2275–2282. [2] N. George, A. Pell, G. Dantelle, K. Page, A. Llobet, M. Balasubramanian, G. Pintacuda, B. Chmelka,and R. Seshadri, Local environments of dilute activator ions in the solid-state lighting phosphor Y3-xCexAl5O12, Chem. Mater. 25 (2013) 3979–3995. [3] D. P. Shoemaker, R. Seshadri, M. Tachibana, and A. L. Hector, Incoherent Bi off-centering in Bi2Ti2O6O´ and Bi2Ru2O6O´: Insulator versus metal, Phys. Rev. B 84 (2011) 064117(1–6). [4] D. P. Shoemaker, A. Llobet, M. Tachibana, and R. Seshadri, Reverse Monte Carlo neutron scattering study of the “ordered-ice” oxide pyrochlore Pb2Ru2O6.5, J. Phys.: Condens. Matter 23 (2011) 315404(1–6).

Intricacies of structure and the connection to property: Examples of some functional inorganic materials

249th National Meeting (2015)

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