Publications

Found 212 results
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Ceder, Gerbrand, and Anton Van der Ven. "Phase diagrams of lithium transition metal oxides: investigations from first principles." Electrochimica Acta 45 (1999): 131-150.
H. Tang, A. Van der Ven, and B.L. Trout. "Phase diagram of oxygen adsorbed on platinum (111) by first-principles investigation." Physical Review B 70 (2004): 045420.
J.G. Goiri, and A. Van der Ven. "Phase and structural stability in Ni-Al systems from first principles." Physical Review B 94 (2016): 094111.
Shi, Qianying, Anirudh Raju Natarajan, Anton Van der Ven, and John Allison. "Partitioning of Ca to metastable precipitates in a Mg-rare earth alloy." Materials Research Letters 11 (2023): 222-230.
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Baek, Sun Woon, Kyra E. Wyckoff, Molleigh Preefer, Muna Saber, Anton Van der Ven, Ram Seshadri, and Laurent Pilon. "Origins of the Fast-Charging Abilities of Niobium Containing Wadsley-Roth Phases." In Electrochemical Society Meeting Abstracts 241. The Electrochemical Society, Inc., 2022.
A. Page, A. Van der Ven, P.F.P. Poudeu, and C. Uher. "Origins of phase separation in thermoelectric (Ti, Zr, Hf) NiSn half-Heusler alloys from first principles." Journal of Materials Chemistry A 4 (2016): 13949-13956.
A. Van der Ven, and G. Ceder. "Ordering in Li x (Ni 0.5 Mn 0.5) O 2 and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries." Electrochemistry communications 6 (2004): 1045-1050.
Kaufman, J. L., and A. Van der Ven. "Ordering and Structural Transformations in Layered KxCrO2 for K-Ion Batteries." Chemistry of Materials 32, no. 15 (2020).
Radin, M. D., J. C. Thomas, and A. Van der Ven. "Order-disorder versus displacive transitions in Jahn-Teller active layered materials." Physical Review Materials 4 (2020).
Thomas, J. C., and A. Van der Ven. "Order parameters for symmetry-breaking structural transitions: The tetragonal-monoclinic transition in ZrO 2." Physical Review B 96 (2017).
Walsh, Flynn, Anirudh Raju Natarajan, and Anton Van der Ven. "Order parameters for antiferromagnetic structures: A first-principles study of iridium manganese." Physical Review Materials 6 (2022): 044402.
J.S. Bechtel, and A. Van der Ven. "Octahedral tilting instabilities in inorganic halide perovskites." Physical Review Materials 2 (2018).
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Y.S. Yu, C. Kim, Y. Liu, A. Van der Ven, Y.S. Meng, R. Kostecki, and J. Cabana. "Nonequilibrium pathways during electrochemical phase transformations in single crystals revealed by dynamic chemical imaging at nanoscale resolution." Advanced Energy Materials 5 (2015).
A. Van der Ven, J.C. Thomas, Q. Xu, B. Swoboda, and D. Morgan. "Nondilute diffusion from first principles: Li diffusion in Li x TiS 2." Physical Review B 78 (2008): 104306.
Casas-Cabanas, Montse, Maxwell D. Radin, Jongsik Kim, Clare P. Grey, Anton Van der Ven, and Rosa M. Palacin. "The nickel battery positive electrode revisited: stability and structure of the beta-NiOOH phase." Journal of Materials Chemistry A 6 (2018).
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).
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).
Kaufman, Jonas L., and Anton Van der Ven. "NaxCoO2 phase stability and hierarchical orderings in the O3/P3 structure family." Physical Review Materials 3 (2019).
Radin, Maxwell D., Sunny Hy, Mahsa Sina, Chengcheng Fang, Haodong Liu, Julija Vinckeviciute, Minghao Zhang, Stanley M Whittingham, Shirley Y Meng, and Anton Van der Ven. "Narrowing the Gap between Theoretical and Practical Capacities in Li-Ion Layered Oxide Cathode Materials." Advanced Energy Materials (2017).
Radin, Maxwell D., Sunny Hy, Mahsa Sina, Chengcheng Fang, Haodong Liu, Julija Vinckeviciute, Minghao Zhang, Stanley M Whittingham, Shirley Y Meng, and Anton Van der Ven. "Narrowing the Gap between Theoretical and Practical Capacities in Li-Ion Layered Oxide Cathode Materials." Advanced Energy Materials (2017).
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Goiri, J. G., and A. Van der Ven. "MultiShifter: Software to generate structural models of exended two-dimensional defects in 3D and 2D crystals." Computational Materials Science 191 (2021).
T. Jiang, S. Rudraraju, A. Roy, A. Van der Ven, K. Garikipati, and M.L. Falk. "Multiphysics Simulations of Lithiation-Induced Stress in Li1+ x Ti2O4 Electrode Particles." The Journal of Physical Chemistry C 120 (2016): 27871-27881.
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).
E. Decolvenaere, E. Levin, R. Seshadri, and A. Van der Ven. "Modeling magnetic evoluton and exchange hardening in disordered magnets: The example of Mn1-xFexRu2Sn Heusler alloys." Physical Review Materials 3 (2019).
DeWitt, Stephen, Ellen L. S. Solomon, Anirudh Raju Natarajan, Vicente Araullo-Peters, Shiva Rudraraju, Larry K. Aagesen, Brian Puchala, Emmanuelle A. Marquis, Anton Van der Ven, Katsuyo Thornton et al. "Misfit-driven beta'''precipitate composition and morphology in Mg-Nd alloys." Acta Materialia 136 (2017).

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