Publications

Found 196 results
Author [ Title(Desc)] Type Year
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
M
Kitchaev, D. A., E. C. Schueller, and A. Van der Ven. "Mapping skyrmion stability in uniaxial lacunar spinel magnets from first principles." Physical Review B 101 (2020).
J. Bhattacharya, and A. Van der Ven. "Mechanical instabilities and structural phase transitions: The cubic to tetragonal transformation." Acta Materialia 56 (2008): 4226-4232.
S. Rudraraju, A. Van der Ven, and K. Garikipati. "Mechanochemical spinodal decomposition: a phenomenological theory of phase transformations in multi-component, crystalline solids." npj Computational Materials 2 (2016): 16012.
V. Etacheri, Y. Kuo, A. Van der Ven, and B.M. Bartlett. "Mesoporous TiO 2–B microflowers composed of (1 1 [combining macron] 0) facet-exposed nanosheets for fast reversible lithium-ion storage." Journal of Materials Chemistry A 1 (2013): 12028-12032.
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.
A. Emly, and A. Van der Ven. "Mg Intercalation in Layered and Spinel Host Crystal Structures for Mg Batteries." Inorganic chemistry 54 (2015): 4394-4402.
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).
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).
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).
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.
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).
N
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).
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).
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).
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).
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.
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).
O
J.S. Bechtel, and A. Van der Ven. "Octahedral tilting instabilities in inorganic halide perovskites." Physical Review Materials 2 (2018).
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.
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).
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).
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).
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.
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.
P
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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