H-index = 82
Professor Alexandra Navrotsky's research interests have centered on relating microscopic features of structure and bonding to macroscopic thermodynamic behavior in minerals, ceramics, and other complex materials. She has made major contributions to both mineralogy/geochemistry and to solid-state chemistry/materials science in the fields of ceramics, mantle mineralogy and deep earth geophysics, melt and glass science, nanomaterials, and porous materials. She has developed unique high-temperature calorimetric techniques and instruments and her laboratory the Peter A. Rock Thermochemistry Laboratory, collaborates with scientists all over the world.
NUCLEAR ENERGY MATERIALS
1. Understanding the thermostability of the materials in nuclear reactors, including molten salt reactors
2. Safe disposal of nuclear materials to decrease as much as possible the harm to the environment.
Energy materials have a wide range of applications such as fuel cells, battery cells, and water splitting. Understanding these materials' thermodynamic capabilities is needed to improve performance under operating conditions, reduce decomposition, and reduce unwanted reactions.
Zeolites are catalysts for a variety of organic chemical reactions and have a multitude of applications.
MATERIAL STABILITY ON PLANETS
Material stability on Earth and other planets have environmental ramifications to better understanding material decomposition and whether those release nutrients (i.e. iron) or contaminants (i.e. nickel).
Organic/inorganic composite materials (hybrid materials) such as hybrid perovskites which contain large organic cations and methyl-organic frameworks.
THE THERMODYNAMICS OF CATION DISTRIBUTIONS IN SIMPLE SPINELS
A. Navrotsky and O. J. Kleppa, J. Inorg. Nucl. Chem., 29, 2701-2714
"Effects of Al:Si and (Al + Na):Si ratios on the properties of the international simple glass, part I: Physical properties" Reiser, J.T., Lu, X., Parruzot, B., Kim, S.H., Vienna, J.D., Journal of the American Ceramic Society, 104(1), pp. 167–182
"Cooperative formation of porous silica and peptides on the prebiotic Earth" Navrotsky, A., Hervig, R., Lyons, J., Shock, E., Voskanyan, A. Proceedings of the National Academy of Sciences of the United States of America, 118(2), e2021117118
"Thermochemistry and phase stability of the polymorphs of yttrium tantalate, YTaO4" Lepple, M., Ushakov, S.V., Lilova, K., Levi, C.G., Navrotsky, A. Journal of the European Ceramic Society, 41(2), pp. 1629–1638
"Thermochemistry of nitrogen-doped reduced graphene oxides," Sandoval, S., Muthuswamy, E., Chen, J., Fuertes, A., Tobias, G., Navrotsky, A. Journal of the European Ceramic Society, 40, 16, 6322-6327 (2020)
"Entropy Stabilization of TiO2-Nb2O5 Wadsley-Roth Shear Phases and Their Prospects for Lithium-Ion Battery Anode Materials," Voskanyan, A.A., Abramchuk, M., Navrotsky, A. Chemistry of Materials, 32, 12, 5301-5308 (2020)
"Energetics of CO(2)and H2O adsorption on alkaline earth metal doped TiO2," da Silva, A.L., Wu, L., Caliman, L.B., Castro, R.H.R., Navrotsky, A., Gouvea, D. Physical Chemistry Chemical Physics, 22, 27, 15600-15607 (2020)
"Conductivity, structure, and thermodynamics of Y2Ti2O7-Y3NbO7 solid solutions," Winiarz, P., Mielewczyk-Gryn, A., Lilova, K., Wachowski, S., Subramani, T., Abramchuk, M., Dzik, E., Navrotsky, A., Gazda, M. Dalton Transactions, 49, 31, 10839-10850 (2020)
"A Synergistic Approach to Unraveling the Thermodynamic Stability of Binary and Ternary Chevrel Phase Sulfides," Lilova, K., Perryman, J.T., Singstock, N.R., Abramchuk, M., Subramani, Tamilarasan., Lam, A., Yoo, R., Ortiz-Rodriguez, J.C., Musgrave, C.B., Navrotsky, A., Velazquez, J.M. Chemistry of Materials, 32, 16, 7044-7051 (2020)
"Development of high-temperature oxide melt solution calorimetry for p-block element containing materials," Abramchuk, M., Lilova, K., Subramani, T., Yoo, R., Navrotsky, A. Journal of Materials Research, 35, 16, 2239-2246 (2020)
"Experimental and computational studies of melting of the spinel phase in the Fe-Al-O ternary system," Agca, C.,, Lindwall, G., McMurray, J.W., Neuefeind, J.C., Liu, Z-K, Navrotsky, A. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 70 (2020)
"Disorder in Ho2Ti2-xZrxO7: pyrochlore to defect fluorite solid solution series," Drey, D.L., O'Quinn, E.C., Subramani, T., Lilova, K., Baldinozzi, G., Gussev, I.M., Fuentes, A.F., Neuefeind, J.C., Everett, M., Sprouster, D., Navrotsky, A., Ewing, R.C., Lang, M. RSC Advances, 10, 57, 34632-34650 (2020)
"Thermodynamic Evidence of Structural Transformations in CO2-Loaded Metal-Organic Framework Zn(MeIm)(2) from Heat Capacity Measurements," Rosen, P.F., Dickson, M.S., Calvin, J., Ross, N.L., Friscic, T., Navrotsky, A., Woodfield, B.F. Journal of the American Chemical Society, 142, 4833-4841 (2020)
"Thermodynamic assessment of BaO-Ln(2)O(3) (Ln = La, Pr, Eu, Gd, Er) systems," Gong, W., Liu, Y., Xie, Y., Zhao, Z., Ushakov, S.V., Navrotsky, A. Journal of the American Ceramic Society, 103, 3896-3904 (2020)
"Melting temperature measurement of refractory oxide ceramics as a function of oxygen fugacity using containerless methods," Agca, C., Neuefeind, J.C., McMurray, J.W., Weber, R., Navrotsky, A. Journal of American Ceramic Society (2020)
"In Situ High-Temperature Synchrotron Diffraction Studies of (Fe,Cr,Al)(3)O-4 Spinels," Agca, C., Neuefeind, J.C., McMurray, J.W., Liu, J., Benmore, C.J., Weber, R.J.K., Navrotsky, A. Inorganic Chemistry, 59 (2020)
"Hydration structure and water exchange kinetics at xenotime-water interfaces: implications for rare earth minerals separation," Roy, S. Wu, L., Srinivasan, S.G., Stack, A.G., Navrotsky, A., Bryantsev, V.S. Physical Chemistry Chemical Physics, 22, 7719-7727 (2020)