Found 141 results
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Journal Article
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).
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).
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).
J.S. Bechtel, and A. Van der Ven. "Octahedral tilting instabilities in inorganic halide perovskites." Physical Review Materials 2 (2018).
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.
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.
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.
Faenza, N. V., N. Pereira, D. M. Halat, J. Vinckeviciute, L. Bruce, M. Radin, P. Mukherjee, F. Badway, A. Halajko, F. Cosandey et al. "Phase Evolution and Degradation Modes of R3̅m LixNi1–y–zCoyAlzO2 Electrodes Cycled Near Complete Delithiation." Chemistry of Materials (2018).
A. Page, C. Uher, P.F. Poudeu, and A. Van der Ven. "Phase separation of full-Heusler nanostructures in half-Heusler thermoelectrics and vibrational properties from first-principles calculations." Physical Review B 92 (2015): 174102.
J.C. Thomas, J.M. Millunchick, A. Van der Ven, and N.A. Modine. "Phase stability analysis of the InAs/GaAs (001) wetting layer from first principles." Physical Review B 89 (2014): 205306.
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).
J. Bhattacharya, and A. Van der Ven. "Phase stability and nondilute Li diffusion in spinel Li 1+ x Ti 2 O 4." Physical Review B 81 (2010): 104304.
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. Van der Ven, D. Morgan, Y.S. Meng, and G. Ceder. "Phase stability of nickel hydroxides and oxyhydroxides." Journal of The Electrochemical Society 153 (2006): A210-A215.
Van der Ven, A, C Marianetti, D Morgan, and G Ceder. "Phase transformations and volume changes in spinel LixMn 2 O 4." Solid State Ionics 135 (2000): 21-32.
Toriyama, M. Y., J. L. Kaufman, and A. Van der Ven. "Potassium Ordering and Structural Phase Stability in Layered KxCoO2." ACS Applied Energy Materials (2019).
A. Van der Ven, Z. Deng, S. Banerjee, and S. P. Ong. "Rechargeable Alkali-Ion Battery Materials: Theory and Computation." Chemical Reviews 120, no. 14 (2020).
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).