Publications

Found 196 results
[ Author(Desc)] Title Type Year
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G
Goiri, J. G., S. K. Kolli, and A. Van der Ven. "Role of short- and long-range ordering on diffusion in Ni-Al alloys." Physical Review Materials 3 (2019).
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).
Gunda, N. S. Harsha, and Anton Van der Ven. "First-principles insights on phase stability of titanium interstitial alloys." Physical Review Materials 2 (2018).
Gunda, N. S. Harsha, B. Puchala, and A. Van der Ven. "Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods." Physical Review Materials 2 (2018).
Gunda, N. S. Harsha, Carlos G. Levi, and Anton Van der Ven. "Investigating the electronic origins of the repulsion between substitutional and interstitial solutes in hcp Ti." Phys. Rev. Mater. 5 (2021): 073604.
Gunda, N. S. H., and A. Van der Ven. "Understanding the interactions between interstitial and substitutional solutes in refractory alloys: The case of Ti-Al-O." Acta Materialia 191 (2020).
H
Han, BC, A Van der Ven, D Morgan, and G Ceder. "Electrochemical modeling of intercalation processes with phase field models." Electrochimica Acta 49 (2004): 4691-4699.
B.C. Han, A. Van der Ven, G. Ceder, and B.J. Hwang. "Surface segregation and ordering of alloy surfaces in the presence of adsorbates." Physical Review B 72 (2005): 205409.
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).
Heinze, Stefan G., Anirudh Raju Natarajan, Carlos G. Levi, and Anton Van der Ven. "Crystallography and substitution patterns in the Zr O 2 − YTa O 4 system." Physical Review Materials 2 (2018).
J
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.
K
Kaboudvand, F., J. Vinckeviciute, S. K. Kolli, M. D. Radin, and A. Van der Ven. "Phase stability and electronic structure of tin sulfide compounds for Li-ion batteries." Journal of Physical Chemistry C (2019).
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).
Kaufman, J. L., J. Vinckeviciute, S. Kolli, J. G. Goiri, and A. Van der Ven. "Understanding intercalation compounds for sodium-ion batteries and beyond." Philosophical Transactions of the Royal Society A 377, no. 2152 (2019).
Kaufman, Jonas L., and Anton Van der Ven. "First-principles investigation of phase stability in layered Na x CrO 2." Physical Review Materials 6 (2022): 115401.
Kaufman, Jonas L., and Anton Van der Ven. "Cation Diffusion Facilitated by Antiphase Boundaries in Layered Intercalation Compounds." Chemistry of Materials 34 (2022): 1889-1896.
Kaufman, Jonas L., and Anton Van der Ven. "Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide." Phys. Rev. Mater. 5 (2021): 055401.
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).
Kim, Sung Joo, Donghee Chang, Kui Zhang, George Graham, Anton Van der Ven, and Xiaoqing Pan. "Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode." ACS Energy Letters 3 (2018).
H. Kim, M. Kaviany, J.C. Thomas, A. Van der Ven, C. Uher, and B. Huang. "Structural order-disorder transitions and phonon conductivity of partially filled skutterudites." Physical review letters 105 (2010): 265901.
Kitchaev, Daniil A., Irene J. Beyerlein, and Anton Van der Ven. "Phenomenology of chiral Dzyaloshinskii-Moriya interactions in strained materials." Physical Review B 98 (2018).
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).
Kitchaev, D. A., J. Vinckeviciute, and A. Van der Ven. "Delocalized metal-oxygen pi-redox is the origin of anomalous nonhysteretic capacity in Li-ion and Na-ion cathode materials." Journal of the American Chemical Society 143, no. 4 (2021).
Kitchaev, Daniil A., and Anton Van der Ven. "Tuning magnetic antiskyrmion stability in tetragonal inverse Heusler alloys." Physical Review Materials 5 (2021): 124408.
Kolli, Sanjeev Krishna, and Anton Van der Ven. "Elucidating the Factors That Cause Cation Diffusion Shutdown in Spinel-Based Electrodes." Chemistry of Materials 33 (2021): 6421-6432.

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