Anton Van der Ven
Associate Professor
Publications
Bhattacharya, J and Ven, AVd (2010). Phase stability and nondilute Li diffusion in spinel Li1+xTi2O4, Physical Review B, 81:104304.
Ven, AVd, Thomas, JC, Xu, Q, and Bhattacharya, J (2010). Linking the electronic structure of solids to their thermodynamic and kinetic properties, Mathematics and Computers in Simulation, 80(7):1393-1410.
Ven, AVd, Yu, HC, Ceder, G, and Thornton, K (2010). Vacancy mediated substitutional diffusion in binary crystalline solids, Progress in Materials Science, 55(2):61-105.
Xu, Q and Ven, AVd (2010). Atomic transport in ordered compounds mediated by local disorder: Diffusion in B2-NixAl1-x, Physical Review B, 81:064303.
Thomas, JC, Millunchick, JM, Modine, NA, and Ven, AVd (2009). Surface atomic order of compound III-V semiconductor alloys at finite temperature, Physical Review B, 80:125315.
Ven, AVd and Wagemaker, M (2009). Effect of surface energies and nano-particle size distribution on open circuit voltage of Li-electrodes, Electrochemistry Communications, 11(4):881-884.
Ven, AVd, Garikipati, K, Kim, S, and Wagemaker, M (2009). The role of coherency strains on phase stability in LixFePO4: Needle crystallites minimize coherency strain and overpotential, Journal of the Electrochemical Society, 156(11):A949-A957.
Wagemaker, M, Mulder, FM, and Ven, AVd (2009). The Role of Surface and Interface Energy on Phase Stability of Nanosized Insertion Compounds, Advanced Materials, 21:2703-2709.
Xu, Q and Ven, AVd (2009). First-principles investigation of migration barriers and point defect complexes in B2-NiAl, Intermetallics, 17(5):319-329.
Bhattacharya, J and Ven, AVd (2008). Mechanical instabilities and structural phase transitions: The cubic to tetragonal transformation, Acta Materialia, 56(16):4226-4232.
Bickel, JE, Modine, NA, Ven, AVd, and Millunchick, JM (2008). Atomic size mismatch strain induced surface reconstructions, Applied Physics Letters, 92:062104.
Ven, AVd, Thomas, JC, Xu, Q, Swoboda, B, and Morgan, D (2008). Nondilute diffusion from first principles: Li diffusion in LixTiS2, Physical Review B, 78:104306.
Yu, H, Ven, AVd, and Thornton, K (2008). Theory of grain boundary diffusion induced by the Kirkendall effect, Applied Physics Letters, 93:091908.
Xu, Q and Ven, AVd (2007). First-principles investigation of metal-hydride phase stability: The Ti-H system, Physical Review B, 76:064207.
Yu, H, Yeon, D, Ven, AVd, and Thornton, K (2007). Substitutional diffusion and Kirkendall effect in binary crystalline solids containing discrete vacancy sources and sinks, Acta Materialia, 55(20):6690-6704.
Ven, AVd, Morgan, D, Meng, YS, and Ceder, G (2006). Phase stability of Nickel hydroxides and oxyhydroxides, Journal of the Electrochemical Society, 153:A210.
Han, BC, Ven, AVd, Ceder, G, and Hwang, BJ (2005). Surface segregation and ordering of alloy catalysts in the presence of adsorbates, Physical Review B, 72:205409.
Meng, YS, Ven, AVd, and Ceder, G (2005). Ab-initio study of sodium ordering in Na0.75CoO2 and its relation to Co3+/Co4+ charge ordering, Physical Review B, 72:172103.
Van der Ven, A and Ceder, G (2005). Vacancies In Ordered And Disordered Binary Alloys Treated With The Cluster Expansion, Physical Review B, 71(5).
Van der Ven, A and Ceder, G (2005). First Principles Calculation Of The Interdiffusion Coefficient In Binary Alloys, Physical Review Letters, 94(4).
Wagemaker, M, Ven, AVd, Morgan, D, Ceder, G, Mulder, FM, and Kearley, GJ (2005). Thermodynamics of spinel LixTiO2 from first principles, Chemical Physics, 317:130.
Morgan, D, Van der Ven, A, and Ceder, G (2004). Li Conductivity In Lixmpo4 (M = Mn, Fe, Co, Ni) Olivine Materials, Electrochemical And Solid State Letters, 7(2):A30.
Tang, H, Van der Ven, A, and Trout, B (2004). Phase Diagram Of Oxygen Adsorbed On Platinum (111) By First-Principles Investigation, Physical Review B, 70(4).
Van der Ven, A and Ceder, G (2004). The Thermodynamics Of Decohesion, Acta Materialia, 52(5):1223.
Van der Ven, A and Ceder, G (2004). Ordering In Li-X(Ni0.5mn0.5)O-2 And Its Relation To Charge Capacity And Electrochemical Behavior In Rechargeable Lithium Batteries, Electrochemistry Communications, 6(10):1045.
Carlier, D, Van der Ven, A, Delmas, C, and Ceder, G (2003). First-Principles Investigation Of Phase Stability In The O-2-Licoo2 System, Chemistry Of Materials, 15(13):2651.
Van der Ven, A and Ceder, G (2003). Impurity-Induced Van der Waals Transition During Decohesion, Physical Review B, 67(6).
De Dompablo, M, Van der Ven, A, and Ceder, G (2002). First-Principles Calculations Of Lithium Ordering And Phase Stability On Lixnio2, Physical Review B, 66(6).
Smithson, H, Marianetti, C, Morgan, D, Van der Ven, A, Predith, A, and Ceder, G (2002). First-Principles Study Of The Stability And Electronic Structure Of Metal Hydrides, Physical Review B, 66(14).
De Dompablo, M, Marianetti, C, Van der Ven, A, and Ceder, G (2001). Jahn-Teller Mediated Ordering In Layered Lixmo2 Compounds, Physical Review B, 6314(14):Art. No..
Reed, J, Ceder, G, and Van der Ven, A (2001). Layered-To-Spinel Phase Transition In Lixmno2, Electrochemical And Solid State Letters, 4(6):A78.
Van der Ven, A and Ceder, G (2001). Lithium Diffusion Mechanisms In Layered Intercalation Compounds, Journal Of Power Sources, 97-8:529.
Van der Ven, A, Ceder, G, Asta, M, and Tepesch, P (2001). First-Principles Theory Of Ionic Diffusion With Nondilute Carriers, Physical Review B, 6418(18).
Van der Ven, A and Ceder, G (2000). Lithium Diffusion In Layered Lixcoo2, Electrochemical And Solid State Letters, 3(7):301.
Ceder, G and Van der Ven, A (1999). Phase Diagrams Of Lithium Transition Metal Oxides: Investigations From First Principles, Electrochimica Acta, 45(1-2):131.
Ven, AVd and Ceder, G (1999). Electrochemical properties of spinel LixCoO2: A first-principles investigation, Physical Review B, 59(2):742-749.
Ceder, G, Kohan, AF, Aydinol, MK, Tepesch, PD, and Ven, AVd (1998). Thermodynamics of Oxides with Substitutional Disorder: A Microscopic Model and Evaluation of Important Energy Contributions, Journal of the American Ceramic Society, 81(3):517-525.
Ceder, G, Van der Ven, A, and Aydinol, M (1998). Lithium-Intercalation Oxides For Rechargeable Batteries, Jom-Journal Of The Minerals Metals & Materials Society, 50(9):35.
Van der Ven, A, Aydinol, M, and Ceder, G (1998). First-Principles Evidence For Stage Ordering In LixCoO2, Journal Of The Electrochemical Society, 145(6):2149.
Van der Ven, A, Aydinol, M, Ceder, G, Kresse, G, and Hafner, J (1998). First-Principles Investigation Of Phase Stability In LixCoO2, Physical Review B, 58(6):2975.