Logan J. Augustine

Density Functional Theory and Thermodynamics Modeling of Inner-Sphere Oxyanion Adsorption on the Hydroxylated α-Al₂O₃(001) Surface

Ali Abbaspour Tamijani, Jennifer L. Bjorklund, Logan J. Augustine et al. · Langmuir · 2020 · 27 citations

Linking Solid-State Reduction Mechanisms to Size-Dependent Reactivity of Metal Oxide Oxygen Carriers for Chemical Looping Combustion

Hayder A. Alalwan, Logan J. Augustine, Blake G. Hudson et al. · ACS Applied Energy Materials · 2021 · 21 citations

Chemical Looping, Chemical Kinetics, Engineering +18

Adsorption of small organic acids and polyphenols on hematite surfaces: Density Functional Theory + thermodynamics analysis

Logan J. Augustine, Ali Abbaspour Tamijani, Jennifer L. Bjorklund et al. · Journal of Colloid and Interface Science · 2021 · 20 citations

Chemical Engineering, Environmental Chemistry, Engineering +10

Use of vibrational spectroscopy to identify the formation of neptunyl–neptunyl interactions: a paired density functional theory and Raman spectroscopy study

Mikaela M. Pyrch, Logan J. Augustine, J.M. Williams et al. · Dalton Transactions · 2022 · 20 citations · Full text

Periodic Density Functional Theory Calculations of Uranyl Tetrachloride Compounds Engaged in Uranyl–Cation and Uranyl–Hydrogen Interactions: Electronic Structure, Vibrational, and Thermodynamic Analyses

Logan J. Augustine, Harindu Rajapaksha, Mikaela M. Pyrch et al. · Inorganic Chemistry · 2022 · 14 citations · Full text