Publications

Found 201 results
[ Author(Desc)] Title 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 
K
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, S. K., and A. Van der Ven. "First-Principles Study of Spinel MgTiS2 as a Cathode Material." Chemistry of Materials (2018).
Kolli, S. K., and A. Van der Ven. "Controlling the Electrochemical Properties of Spinel Intercalation Compounds." ACS Applied Energy Materials (2018).
Kolli, S. K., A. R. Natarajan, J. C. Thomas, T. M. Pollock, and A. Van der Ven. "Discovering hierarchies among intermetallic crystal structures." Physical Review Materials 4 (2020).
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.
Kolli, Sanjeev Krishna, Anirudh Raju Natarajan, and Anton Van der Ven. "Six new transformation pathways connecting simple crystal structures and common intermetallic crystal structures." Acta Materialia 221 (2021): 117429.
L
Leben-Higgins, Z. W., J. Vinckeviciute, J. P. Wu, N. V. Faenza, Y. Z. Li, S. Sallis, N. Pereira, Y. S. Meng, G. G. Amatucci, V. Van der Ven et al. "Distinction between Intrinsic and X-ray-Induced Oxidized Oxygen States in Li-Rich 3d Layered Oxides and LiAlO2." Journal of Physical Chemistry C 123, no. 21 (2019).
Lebens-Higgins, Z. W., N. V. Faenza, M. D. Radin, H. Liu, S. Sallis, J. Rana, J. Vinckeviciute, P. J. Reeves, M. J. Zuba, F. Badway et al. "Revisiting the charge compensation mechanisms in LiNi0.8Co0.2-yAlyO2 systems." Materials Horizons (2019).
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.
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).
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.
J. Liu, D. Chang, P. Whitfield, Y. Janssen, X. Yu, Y. Zhou, J. Bai, J. Ko, K.W. Nam, L. Wu et al. "Ionic conduction in cubic Na3TiP3O9N, a secondary Na-ion battery cathode with extremely low volume change." Chemistry of Materials 26 (2014): 3295-3305.
M
Y.S. Meng, A. Van der Ven, M.K.Y. Chan, and G. Ceder. "Ab initio study of sodium ordering in Na 0.75 Co O 2 and its relation to Co 3+/ Co 4+ charge ordering." Physical Review B 72 (2005): 172103.
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.
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.
N
A.R. Natarajan, and A. Van der Ven. "A unified description of ordering in HCP Mg-RE alloys." Acta Materialia 124 (2017): 620-632.
A.R. Natarajan, E.L.S. Solomon, B. Puchala, E.A. Marquis, and A. Van der Ven. "On the early stages of precipitation in dilute Mg–Nd alloys." Acta Materialia 108 (2016): 367-379.
Natarajan, Anirudh Raju, and Anton Van der Ven. "First-principles investigation of phase stability in the Mg-Sc binary alloy." Physical Review B 95 (2017): 214107.
Natarajan, Anirudh Raju, John C. Thomas, Brian Puchala, and Anton Van der Ven. "Symmetry-adapted order parameters and free energies for solids undergoing order-disorder phase transitions." Physical Review B 96 (2017): 134204.
Natarajan, A. R., and A. Van der Ven. "Machine-learning the configurational energy of multicomponent crystalline solids." npj Computational Materials 4 (2018).
Natarajan, Anirudh Raju, and Anton Van der Ven. "Connecting the Simpler Structures to Topologically Close-Packed Phases." Physical Review Letters 121 (2018).
Natarajan, A. R., and A. Van der Ven. "Toward an understanding of deformation mechanisms in metallic lithium and sodium from first principles." Chemistry of Materials (2019).
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.
Natarajan, A. R., P. Dolin, and A. Van der Ven. "Crystallography, thermodynamics and phase transitions in refractory binary alloys." Acta Materialia 200 (2020).

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