Dr. Yulia Zaikina, Department of Chemistry, Iowa State University

High-throughput calculations combined with unconventional synthesis methods and in-situ studies of reactions at high temperatures allow for the rapid "screening" of multicomponent systems, facilitating the discovery of new solids. The choice of the precursors for the solid state reaction is of utmost importance because of the sluggish kinetics of the reactions involving solids, especially when attempting to synthesize metastable and complex structures. Thus, synthetic methods using unconventional, reactive precursors must be developed to overcome the limitations of traditional solid-state synthesis. Such methods will allow the exploration of systems where starting materials have drastically different reactivity. In one project, we chose a synthetic method that utilizes alkali metal-hydride precursors. Using salt-like alkali metal hydrides instead of ductile alkali metals remedies the problem of insufficient mixing of the starting materials and leads to faster kinetics and shorter annealing times. In addition, this route allows for the targeted synthesis of specific compositions, and thus, fine tuning of physical properties. Such a synthetic approach could help bridge the gap between theoretical prediction and experimental synthesis of new materials, allowing for rapid exploration and compound mining of potentially rich phase space in the ternary systems containing an alkali metal. In another project, we studied synthetic route that uses deep eutectic solvents (DESs). Deep eutectic solvents (DESs) are emerging green solvents that are inexpensive, non-toxic, and biodegradable, rendering them interesting media for sustainable synthesis of materials. Moreover, this synthetic route provides a unique reaction environment for the stabilization of oxygen vacancies and reduced metal oxidation states within an oxide matrix. In summary, we have demonstrated that innovative synthetic approaches may lead to discovery of unique compounds as well as introducing novel functionalities in the existing materials.