Metal Release Mechanism and Electrochemical Properties of Lix(Ni1/3Mn1/3Co1/3)O2 von Hudson, Blake G., Mason, Sara E.

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DFT Computed Dielectric Response and THz Spectra of Organic Co-Crystals and Their Constituent Components von Bennett, Joseph W, Raglione, Michaella E, Oburn, Shalisa M, MacGillivray, Leonard R, Arnold, Mark A, Mason, Sara E

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Characterization of Phosphate and Arsenate Adsorption onto Keggin-Type Al30 Cations by Experimental and Theoretical Methods von Corum, Katie W, Fairley, Melissa, Unruh, Daniel K, Payne, Maurice K, Forbes, Tori Z, Mason, Sara E

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Surface-Specific DFT + U Approach Applied to α‑Fe2O3(0001) von Huang, Xu, Ramadugu, Sai Kumar, Mason, Sara E

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Density Functional Theory Study of Arsenate Adsorption onto Alumina Surfaces von Corum, Katie, Abbaspour Tamijani, Ali, Mason, Sara

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Pb(II) Adsorption on Isostructural Hydrated Alumina and Hematite (0001) Surfaces: A DFT Study von Mason, Sara E, Iceman, Christopher R, Tanwar, Kunaljeet S, Trainor, Thomas P, Chaka, Anne M

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Nickel enrichment of next-generation NMC nanomaterials alters material stability, causing unexpected dissolution behavior and observed toxicity to S. oneidensis MR-1 and D. magna von Buchman, Joseph T. T., Bennett, Evan A. A., Wang, Chenyu, Abbaspour Tamijani, Ali, Bennett, Joseph W. W., Hudson, Blake G. G., Green, Curtis M. M., Clement, Peter L. L., Zhi, Bo, Henke, Austin H. H., Laudadio, Elizabeth D. D., Mason, Sara E. E., Hamers, Robert J. J., Klaper, Rebecca D. D., Haynes, Christy L. L.

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Rapidly induced gene networks following induction of long-term potentiation at perforant path synapses in vivo von Ryan, Margaret M., Mason-Parker, Sara E., Tate, Warren P., Abraham, Wickliffe C., Williams, Joanna M.

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Synthesis, Characterization, and Density Functional Theory Investigation of the Solid-State [UO2Cl4(H2O)]2– Complex von Rajapaksha, Harindu, Mason, Sara E., Forbes, Tori Z.

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Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2 von Bennett, Joseph W, Jones, Diamond, Huang, Xu, Hamers, Robert J, Mason, Sara E

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Cover Picture: Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non‐Covalent Interactions in a Uranyl Tetrahalide Model System... von Rajapaksha, Harindu, Augustine, Logan J., Mason, Sara E., Forbes, Tori Z.

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Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies von Cui, Qiang, Hernandez, Rigoberto, Mason, Sara E., Frauenheim, Thomas, Pedersen, Joel A., Geiger, Franz

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Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni 1/3 Mn 1/3 Co 1/3 )O 2 von Bennett, Joseph W, Jones, Diamond, Huang, Xu, Hamers, Robert J, Mason, Sara E

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Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non‐Covalent Interactions in a Uranyl Tetrahalide Model System von Rajapaksha, Harindu, Augustine, Logan J., Mason, Sara E., Forbes, Tori Z.

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Efficient Conversion of CO2 to Formate Using Inexpensive and Easily Prepared Post-Transition Metal Alloy Catalysts von Hailu, Amanuel, Tamijani, Ali Abbaspour, Mason, Sara E, Shaw, Scott K

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DFT Study of Antimony(V) Oxyanion Adsorption on α‑Al2O3(11̅02) von Ramadugu, Sai Kumar, Mason, Sara E

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Three-Dimensional Noncovalent Interaction Network within [NpO2Cl4]2– Coordination Compounds: Influence on Thermochemical and Vibrational Properties von Rajapaksha, Harindu, Benthin, Grant C., Kravchuk, Dmytro V., Lightfoot, Haley, Mason, Sara E., Forbes, Tori Z.

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Density Functional Theory and Thermodynamics Modeling of Inner-Sphere Oxyanion Adsorption on the Hydroxylated α‑Al2O3(001) Surface von Tamijani, Ali Abbaspour, Bjorklund, Jennifer L, Augustine, Logan J, Catalano, Jeffrey G, Mason, Sara E

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Binding of polar and hydrophobic molecules at the LiCoO2 (001)-water interface: force field development and molecular dynamics simulations von Liang, Dongyue, Liu, Juan, Heinz, Hendrik, Mason, Sara E, Hamers, Robert J, Cui, Qiang

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First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide von Bennett, Joseph W, Jones, Diamond T, Hamers, Robert J, Mason, Sara E

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