Publications

Found 222 results
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L
Natarajan, A. R., and A. Van der Ven. "Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys." NPJ Computational Materials 6 (2020): 80.
D. Chang, and A. Van der Ven. "Li intercalation mechanisms in CaTi 5 O 11, a bronze-B derived compound." Physical Chemistry Chemical Physics 18 (2016): 32042-32049.
D. Morgan, A. Van der Ven, and G. Ceder. "Li conductivity in Li x MPO 4 (M= Mn, Fe, Co, Ni) olivine materials." Electrochemical and solid-state letters 7 (2004): A30-A32.
Reed, J, G Ceder, and A Van der Ven. "Layered-to-Spinel Phase Transition in Li x MnO2." Electrochemical and Solid-State Letters 4 (2001): A78-A81.
Tang, Hairong, Anton Van der Ven, and Bernhardt L. Trout. "Lateral interactions between oxygen atoms adsorbed on platinum (111) by first principles." Molecular Physics 102 (2004): 273-279.
K
A.A. Belak, Y. Wang, and A. Van der Ven. "Kinetics of anatase electrodes: the role of ordering, anisotropy, and shape memory effects." Chemistry of Materials 24 (2012): 2894-2898.
J
B. Li, M.B. Katz, Y. Duan, X. Du, K. Zhang, L. Chen, A. Van der Ven, G.W. Graham, and X. Pan. "A Joint Theoretical and Experimental Study of Phase Equilibria and Evolution in Pt-Doped Calcium Titanate under Redox Conditions." Chemistry of Materials 27 (2015): 18-28.
Arroyo y de Dompablo, ME, C Marianetti, A Van der Ven, and G Ceder. "Jahn-Teller mediated ordering in layered Li x M O 2 compounds." Physical Review B 63 (2001): 144107.
I
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.
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).
A. Aryanfar, J.C. Thomas, A. Van der Ven, D. Xu, M. Youssef, J. Yang, B. Yildiz, and J. Marian. "Integrated Computational Modeling of Water Side Corrosion in Zirconium Metal Clad Under Nominal LWR Operating Conditions." JOM 68 (2016): 2900-2911.
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).
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.
Van der Ven, A, and G Ceder. "Impurity-induced van der Waals transition during decohesion." Physical Review B 67 (2003): 060101.
N.M. Trease, I.D. Seymour, M.D. Radin, Haodong Liu, Hao Liu, S. Hy, N. Chernova, P. Parikh, A. Devaraj, K.M. Wiaderek et al. "Identifying the Distribution of Al3+ in LiNi0.8Co0.15Al0.05O2." Chemistry of Materials 28 (2016): 8170-8180.
H
Van der Ven, Anton, Kimberly A. See, and Laurent Pilon. "Hysteresis in electrochemical systems." Battery Energy 1 (2022): 20210017.
M.H. Chen, B. Puchala, and A. Van der Ven. "High-temperature stability of δ′-ZrO." Calphad 51 (2015): 292-298.
Thomas, J. C., J. S. Bechtel, and A. Van der Ven. "Hamiltonians and order parameters for crystals of orientable molecules." Physical Review B 98 (2018).
F
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.
Vinckeviciute, Julija, Maxwell D. Radin, Nicholas V. Faenza, Glenn G. Amatucci, and Anton Van der Ven. "Fundamental insights about interlayer cation migration in Li-ion electrodes at high states of charge." Journal of Materials Chemistry A (2019).
Vinckeviciute, Julija, Maxwell D. Radin, Nicholas V. Faenza, Glenn G. Amatucci, and Anton Van der Ven. "Fundamental insights about interlayer cation migration in Li-ion electrodes at high states of charge." Journal of Materials Chemistry A (2019).
Bechtel, J. S., and A. Van der Ven. "First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions." Physical Review Materials 2 (2018).
A. Van der Ven, G. Ceder, M. Asta, and P.D. Tepesch. "First-principles theory of ionic diffusion with nondilute carriers." Physical Review B 64 (2001): 184307.
S.R. Lee, A.F. Wright, N.A. Modine, C.C. Battaile, S.M. Foiles, J.C. Thomas, and A. Van der Ven. "First-principles survey of the structure, formation energies, and transition levels of As-interstitial defects in InGaAs." Physical Review B 92 (2015): 045205.
Smithson, H, CA Marianetti, D Morgan, A Van der Ven, A Predith, and G Ceder. "First-principles study of the stability and electronic structure of metal hydrides." Physical Review B 66 (2002): 144107.

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