Publications

Found 209 results
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B
Brady, Michael J., Jessica L. Andrews, Andrea Zambotti, Delin Zhang, Xintong Yuan, Kodi Thurber, Xiangfeng Duan, Yuzhang Li, Johanna Nelson Weker, Ananya Renuka Balakrishna et al. "Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life." MRS Energy & Sustainability 12 (2025): 32-45.
C
Carlier, D, A Van der Ven, Claude Delmas, and Gerbrand Ceder. "First-principles investigation of phase stability in the O2-LiCoO2 system." Chemistry of materials 15 (2003): 2651-2660.
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).
Ceder, Gerbrand, and Anton Van der Ven. "Phase diagrams of lithium transition metal oxides: investigations from first principles." Electrochimica Acta 45 (1999): 131-150.
Ceder, G, A Van der Ven, C Marianetti, and D Morgan. "First-principles alloy theory in oxides." Modelling and Simulation in Materials Science and Engineering 8 (2000): 311.
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. Chang, H. Huo, K.E. Johnston, M. Ménétrier, L. Monconduit, C.P. Grey, and A. Van der Ven. "Elucidating the origins of phase transformation hysteresis during electrochemical cycling of Li–Sb electrodes." Journal of Materials Chemistry A 3 (2015): 18928-18943.
D. Chang, M.H. Chen, and A. Van der Ven. "Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries." Chemistry of Materials 27 (2015): 7593-7600.
M.H. Chen, J.C. Thomas, A.R. Natarajan, and A. Van der Ven. "Effects of strain on the stability of tetragonal ZrO 2." Physical Review B 94 (2016): 054108.
M.H. Chen, B. Puchala, and A. Van der Ven. "High-temperature stability of δ′-ZrO." Calphad 51 (2015): 292-298.
M.H. Chen, A. Emly, and A. Van der Ven. "Anharmonicity and phase stability of antiperovskite Li 3 OCl." Physical Review B 91 (2015): 214306.
H. Chi, H. Kim, J.C. Thomas, G. Shi, K. Sun, M. Abeykoon, E.S. Bozin, X. Shi, Q. Li, X. Shi et al. "Low-temperature structural and transport anomalies in Cu 2 Se." Physical Review B 89 (2014): 195209.
H. Chi, H. Kim, J.C. Thomas, X. Su, S. Stackhouse, M. Kaviany, A. Van der Ven, X. Tang, and C. Uher. "Configuring pnicogen rings in skutterudites for low phonon conductivity." Physical Review B 86 (2012): 195209.
D
A.S. Dalton, A.A. Belak, and A. Van der Ven. "Thermodynamics of lithium in TiO2 (B) from first principles." Chemistry of Materials 24 (2012): 1568-1574.
E. Decolvenaere, M.J. Gordon, and A. Van der Ven. "Testing predictions from density functional theory at finite temperatures: β 2-like ground states in Co-Pt." Physical Review B 92 (2015): 085119.
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).
Decolvenaere, Elizabeth, Michael Gordon, Ram Seshadri, and Anton Van der Ven. "First-principles investigation of competing magnetic interactions in (Mn, Fe) Ru 2 Sn Heusler solid solutions." Physical Review B 96 (2017): 165109.
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).
A. Duzik, J.C. Thomas, A. Van der Ven, and J.M. Millunchick. "Surface reconstruction stability and configurational disorder on Bi-terminated GaAs (001)." Physical Review B 87 (2013): 035313.
E
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. Emly, E. Kioupakis, and A. Van der Ven. "Phase stability and transport mechanisms in antiperovskite Li3OCl and Li3OBr superionic conductors." Chemistry of Materials 25 (2013): 4663-4670.
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.
R.A. Enrique, and A. Van der Ven. "Traction curves for the decohesion of covalent crystals." Applied Physics Letters 110 (2017): 021910.
Enrique, R. A., and A. Van der Ven. "Decohesion models informed by first-principles calculations: The ab initio tensile test." Journal of the Mechanics and Physics of Solids (2017).
R.A. Enrique, and A. Van der Ven. "Solute embrittlement of SiC." Journal of Applied Physics 116 (2014): 113504.

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