Publications

Found 58 results
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2025
Behara, Sesha Sai, and Anton Van der Ven. "The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics." ACS Energy Letters 10 (2025): 1772-1778.
Ponte, Graciela E. García, Sesha Sai Behara, Euan N. Bassey, Raphaële J. Clément, and Anton Van der Ven. "First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order–Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode." Chemistry of Materials (2025).
Ponte, Graciela E. García, Sesha Sai Behara, Euan N. Bassey, Raphaële J. Clément, and Anton Van der Ven. "First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order–Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode." Chemistry of Materials (2025).
Brady, Michael J., Jessica L. Andrews, Andrea Zambotti, Delin Zhang, Xintong Yuan, Kodi Thurber, Xiangfeng Duan, Yuzhang Li, Johanna Nelson Weker, Ananya Renuka Balakrishna et al. "Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life." MRS Energy & Sustainability 12 (2025): 32-45.
Brady, Michael J., Jessica L. Andrews, Andrea Zambotti, Delin Zhang, Xintong Yuan, Kodi Thurber, Xiangfeng Duan, Yuzhang Li, Johanna Nelson Weker, Ananya Renuka Balakrishna et al. "Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life." MRS Energy & Sustainability 12 (2025): 32-45.
Bassey, Euan, Erick Lawrence, Ove Korjus, Emmanuelle Suard, Anton Van der Ven, and Raphaële Clément. "Structural Complexity in a Highly Reversible" Anion-Redox" Cathode." Journal of Materials Chemistry A (2025).
2024
Behara, Sesha Sai, John C. Thomas, Brian Puchala, and Anton Van der Ven. "Chemomechanics in alloy phase stability." Physical Review Materials 8 (2024): 033801.
Behara, Sesha Sai, Jeremiah Thomas, and Anton Van der Ven. "Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys." Chemistry of Materials 36 (2024): 7370-7387.
Brady, Michael J., Jessica L. Andrews, Andrea Zambotti, Delin Zhang, Xintong Yuan, Kodi Thurber, Xiangfeng Duan, Yuzhang Li, Johanna Nelson Weker, Ananya Renuka Balakrishna et al. "Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life." MRS Energy & Sustainability (2024): 1-14.
Brady, Michael J., Jessica L. Andrews, Andrea Zambotti, Delin Zhang, Xintong Yuan, Kodi Thurber, Xiangfeng Duan, Yuzhang Li, Johanna Nelson Weker, Ananya Renuka Balakrishna et al. "Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life." MRS Energy & Sustainability (2024): 1-14.
Behara, Sesha Sai, and Anton Van der Ven. "Role of Short-Range Order on Diffusion Coefficients in the Li–Mg Alloy." Chemistry of Materials 36 (2024): 11236-11245.
Thomas, Jeremiah, Sesha Sai Behara, and Anton Van der Ven. "Thermodynamic and Kinetic Properties of the Lithium–Silver System." Chemistry of Materials (2024): null.
2023
Puchala, Brian, John C. Thomas, Anirudh Raju Natarajan, Jon Gabriel Goiri, Sesha Sai Behara, Jonas L. Kaufman, and Anton Van der Ven. "CASM—A software package for first-principles based study of multicomponent crystalline solids." Computational Materials Science 217 (2023): 111897.
Meynell, Simon A., Yolita M. Eggeler, Joshua D. Bocarsly, Daniil A. Kitchaev, Bailey E. Rhodes, Tresa M. Pollock, Stephen D. Wilson, Anton Van der Ven, Ram Seshadri, Marc De Graef et al. "Inducing skyrmion flop transitions in Co 8 Zn 8 Mn 4 at room temperature." Physical Review Materials 7 (2023): 044401.
Saber, Muna, Sesha Sai Behara, and Anton Van der Ven. "Redox Mechanisms, Structural Changes, and Electrochemistry of the Wadsley–Roth Li x TiNb2O7 Electrode Material." Chemistry of Materials 35 (2023): 9657-9668.
2022
Behara, Sesha Sai, and Anton Van der Ven. "Ferroelectric HfO 2 and the importance of strain." Physical Review Materials 6 (2022): 054403.
Wyckoff, Kira E., Jonas L. Kaufman, Sun Woong Baek, Christian Dolle, Joshua J. Zak, Jadon Bienz, Linus Kautzsch, Rebecca C. Vincent, Arava Zohar, Kimberly A. See et al. "Metal–metal bonding as an electrode design principle in the low-strain cluster compound LiScMo3O8." Journal of the American Chemical Society 144 (2022): 5841-5854.
Wyckoff, Kira E., Jonas L. Kaufman, Sun Woong Baek, Christian Dolle, Joshua J. Zak, Jadon Bienz, Linus Kautzsch, Rebecca C. Vincent, Arava Zohar, Kimberly A. See et al. "Metal–metal bonding as an electrode design principle in the low-strain cluster compound LiScMo3O8." Journal of the American Chemical Society 144 (2022): 5841-5854.
Baek, Sun Woong, Molleigh B. Preefer, Muna Saber, Kuan Zhai, Matevž Frajnkovič, Yucheng Zhou, Bruce S. Dunn, Anton Van der Ven, Ram Seshadri, and Laurent Pilon. "Potentiometric entropy and operando calorimetric measurements reveal fast charging mechanisms in PNb9O25." Journal of Power Sources 520 (2022): 230776.
Baek, Sun Woong, Muna Saber, Anton Van der Ven, and Laurent Pilon. "Thermodynamic analysis and interpretative guide to entropic potential measurements of lithium-ion battery electrodes." The Journal of Physical Chemistry C 126 (2022): 6096-6110.
2021
Bashian, Nicholas H., Mateusz Zuba, Ahamed Irshad, Shona M. Becwar, Julija Vinckeviciute, Warda Rahim, Kent J. Griffith, Eric T. McClure, Joseph K. Papp, Bryan D. McCloskey et al. "Electrochemical Oxidative Fluorination of an Oxide Perovskite." Chemistry of Materials 33 (2021): 5757-5768.
Bashian, Nicholas H., Mateusz Zuba, Ahamed Irshad, Shona M. Becwar, Julija Vinckeviciute, Warda Rahim, Kent J. Griffith, Eric T. McClure, Joseph K. Papp, Bryan D. McCloskey et al. "Electrochemical Oxidative Fluorination of an Oxide Perovskite." Chemistry of Materials 33 (2021): 5757-5768.
Levin, E. E., D. A. Kitchaev, Y. M. Eggeler, J. A. Mayer, P. Behera, D. S. Gianola, A. Van der Ven, T. M. Pollock, and R. Seshadri. "Influence of plastic deformation on the magnetic properties of Heusler MnAu2Al." Physical Review Materials 5 (2021).
Zuo, Julia L., Daniil Kitchaev, Emily C. Schueller, Joshua D. Bocarsly, Ram Seshadri, Anton Van der Ven, and Stephen D. Wilson. "Magnetoentropic mapping and computational modeling of cycloids and skyrmions in the lacunar spinels $\mathrmGaV_4\mathrmS_8$ and $\mathrmGaV_4\mathrmSe_8$." Phys. Rev. Mater. 5 (2021): 054410.
2020
Hansen, C. J., J. J. Zak, A. J. Martinolich, J. S. Ko, N. H. Bashian, F. Kaboudvand, A. Van der Ven, B. C. Melot, J. N. Weker, and K. A. See. "Multielectron, Cation and Anion Redox in Lithium-Rich Iron Sulfide Cathodes." Journal of the American Chemical Society 142, no. 14 (2020).

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