Publications

Found 53 results
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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).
2024
Kim, Seong Shik, Daniil A. Kitchaev, Eshaan S. Patheria, Colin T. Morrell, Michelle D. Qian, Jessica L. Andrews, Qizhang Yan, Shu-Ting Ko, Jian Luo, Brent C. Melot et al. "Cation Vacancies Enable Anion Redox in Li Cathodes." Journal of the American Chemical Society 146 (2024): 20951-20962.
Behara, Sesha Sai, John C. Thomas, Brian Puchala, and Anton Van der Ven. "Chemomechanics in alloy phase stability." Physical Review Materials 8 (2024): 033801.
Reynolds, Colleen, Tresa M. Pollock, and Anton Van der Ven. "Solute-solute interactions in dilute Nb-XO alloys from first principles." Acta Materialia 266 (2024): 119621.
2023
Puchala, Brian, John C. Thomas, and Anton Van der Ven. "CASM Monte Carlo: Calculations of the thermodynamic and kinetic properties of complex multicomponent crystals." arXiv preprint arXiv:2309.11761 (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.
Saber, Muna, Colleen Reynolds, Jonathan Li, Tresa M. Pollock, and Anton Van der Ven. "Chemical and structural factors affecting the stability of Wadsley–Roth block phases." Inorganic Chemistry 62 (2023): 17317-17332.
Wyckoff, Kira E., Linus Kautzsch, Jonas L. Kaufman, Brenden R. Ortiz, Anna Kallistova, Ganesh Pokharel, Jue Liu, Keith M. Taddei, Kamila M. Wiaderek, Saul H. Lapidus et al. "Electrochemical Control of Magnetism on the Breathing Kagome Network of Li x ScMo3O8." Chemistry of Materials 35 (2023): 4945-4954.
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.
2022
Van der Ven, Anton, Kimberly A. See, and Laurent Pilon. "Hysteresis in electrochemical systems." Battery Energy 1 (2022): 20210017.
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, 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.
Zhang, Minghao, Daniil A. Kitchaev, Zachary Lebens-Higgins, Julija Vinckeviciute, Mateusz Zuba, Philip J. Reeves, Clare P. Grey, Stanley M Whittingham, Louis F. J. Piper, Anton Van der Ven et al. "Pushing the limit of 3 d transition metal-based layered oxides that use both cation and anion redox for energy storage." Nature Reviews Materials 7 (2022): 522-540.
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).
Saber, Muna, Molleigh B. Preefer, Sanjeev K. Kolli, William Zhang, Geneva Laurita, Bruce Dunn, Ram Seshadri, and Anton Van der Ven. "Role of Electronic Structure in Li Ordering and Chemical Strain in the Fast Charging Wadsley–Roth Phase PNb9O25." Chemistry of Materials 33 (2021): 7755-7766.
2020
Kolli, S. K., A. R. Natarajan, J. C. Thomas, T. M. Pollock, and A. Van der Ven. "Discovering hierarchies among intermetallic crystal structures." Physical Review Materials 4 (2020).
Eggeler, Y. M., E. E. Levin, F. Wang, D. A. Kitchaev, A. Van der Ven, R. Seshadri, T. M. Pollock, and D. S. Gianola. "Interfacial structure and strain accommodation in two-phase NbCo1.2Sn Heusler intermetallics." Physical Review Materials 4 (2020).
Preefer, M. B., M. Saber, Q. Wei, N. H. Bashian, J. D. Bocarsly, W. Zhang, G. Lee, J. Milam-Guerrero, E. S. Howard, R. C. Vincent et al. "NEXT Multielectron Redox and Insulator-to-Metal Transition upon Lithium Insertion in the Fast-Charging, Wadsley-Roth Phase PNb9O25." Chemistry of Materials 32 (2020).
2019
Leben-Higgins, Z. W., J. Vinckeviciute, J. P. Wu, N. V. Faenza, Y. Z. Li, S. Sallis, N. Pereira, Y. S. Meng, G. G. Amatucci, V. Van der Ven et al. "Distinction between Intrinsic and X-ray-Induced Oxidized Oxygen States in Li-Rich 3d Layered Oxides and LiAlO2." Journal of Physical Chemistry C 123, no. 21 (2019).
Leben-Higgins, Z. W., J. Vinckeviciute, J. P. Wu, N. V. Faenza, Y. Z. Li, S. Sallis, N. Pereira, Y. S. Meng, G. G. Amatucci, V. Van der Ven et al. "Distinction between Intrinsic and X-ray-Induced Oxidized Oxygen States in Li-Rich 3d Layered Oxides and LiAlO2." Journal of Physical Chemistry C 123, no. 21 (2019).
Pollock, T. M., and A. Van der Ven. "The evolving landscape for alloy design." MRS Bulletin 44, no. 4 (2019).

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