Home | People | Anton Van der Ven | Publications

Anton Van der Ven


Publications

  1. Bhattacharya, J and Ven, AVd (2010). Phase stability and nondilute Li diffusion in spinel Li1+xTi2O4Physical Review B, 81:104304.

  2. Ven, AVd, Thomas, JC, Xu, Q, and Bhattacharya, J (2010). Linking the electronic structure of solids to their thermodynamic and kinetic propertiesMathematics and Computers in Simulation, 80(7):1393-1410.

  3. Ven, AVd, Yu, HC, Ceder, G, and Thornton, K (2010). Vacancy mediated substitutional diffusion in binary crystalline solidsProgress in Materials Science, 55(2):61-105.

  4. Xu, Q and Ven, AVd (2010). Atomic transport in ordered compounds mediated by local disorder: Diffusion in B2-NixAl1-xPhysical Review B, 81:064303.

  5. Thomas, JC, Millunchick, JM, Modine, NA, and Ven, AVd (2009). Surface atomic order of compound III-V semiconductor alloys at finite temperaturePhysical Review B, 80:125315.

  6. Ven, AVd and Wagemaker, M (2009). Effect of surface energies and nano-particle size distribution on open circuit voltage of Li-electrodesElectrochemistry Communications, 11(4):881-884.

  7. 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 overpotentialJournal of the Electrochemical Society, 156(11):A949-A957.

  8. Wagemaker, M, Mulder, FM, and Ven, AVd (2009). The Role of Surface and Interface Energy on Phase Stability of Nanosized Insertion CompoundsAdvanced Materials, 21:2703-2709.

  9. Xu, Q and Ven, AVd (2009). First-principles investigation of migration barriers and point defect complexes in B2-NiAlIntermetallics, 17(5):319-329.

  10. Bhattacharya, J and Ven, AVd (2008). Mechanical instabilities and structural phase transitions: The cubic to tetragonal transformationActa Materialia, 56(16):4226-4232.

  11. Bickel, JE, Modine, NA, Ven, AVd, and Millunchick, JM (2008). Atomic size mismatch strain induced surface reconstructionsApplied Physics Letters, 92:062104.

  12. Ven, AVd, Thomas, JC, Xu, Q, Swoboda, B, and Morgan, D (2008). Nondilute diffusion from first principles: Li diffusion in LixTiS2Physical Review B, 78:104306.

  13. Yu, H, Ven, AVd, and Thornton, K (2008). Theory of grain boundary diffusion induced by the Kirkendall effectApplied Physics Letters, 93:091908.

  14. Xu, Q and Ven, AVd (2007). First-principles investigation of metal-hydride phase stability: The Ti-H systemPhysical Review B, 76:064207.

  15. Yu, H, Yeon, D, Ven, AVd, and Thornton, K (2007). Substitutional diffusion and Kirkendall effect in binary crystalline solids containing discrete vacancy sources and sinksActa Materialia, 55(20):6690-6704.

  16. Ven, AVd, Morgan, D, Meng, YS, and Ceder, G (2006). Phase stability of Nickel hydroxides and oxyhydroxidesJournal of the Electrochemical Society, 153:A210.

  17. Han, BC, Ven, AVd, Ceder, G, and Hwang, BJ (2005). Surface segregation and ordering of alloy catalysts in the presence of adsorbatesPhysical Review B, 72:205409.

  18. Meng, YS, Ven, AVd, and Ceder, G (2005). Ab-initio study of sodium ordering in Na0.75CoO2 and its relation to Co3+/Co4+ charge orderingPhysical Review B, 72:172103.

  19. Van der Ven, A and Ceder, G (2005). Vacancies In Ordered And Disordered Binary Alloys Treated With The Cluster ExpansionPhysical Review B, 71(5).

  20. Van der Ven, A and Ceder, G (2005). First Principles Calculation Of The Interdiffusion Coefficient In Binary AlloysPhysical Review Letters, 94(4).

  21. Wagemaker, M, Ven, AVd, Morgan, D, Ceder, G, Mulder, FM, and Kearley, GJ (2005). Thermodynamics of spinel LixTiO2 from first principlesChemical Physics, 317:130.

  22. Morgan, D, Van der Ven, A, and Ceder, G (2004). Li Conductivity In Lixmpo4 (M = Mn, Fe, Co, Ni) Olivine MaterialsElectrochemical And Solid State Letters, 7(2):A30.

  23. Tang, H, Van der Ven, A, and Trout, B (2004). Phase Diagram Of Oxygen Adsorbed On Platinum (111) By First-Principles InvestigationPhysical Review B, 70(4).

  24. Van der Ven, A and Ceder, G (2004). The Thermodynamics Of DecohesionActa Materialia, 52(5):1223.

  25. 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 BatteriesElectrochemistry Communications, 6(10):1045.

  26. Carlier, D, Van der Ven, A, Delmas, C, and Ceder, G (2003). First-Principles Investigation Of Phase Stability In The O-2-Licoo2 SystemChemistry Of Materials, 15(13):2651.

  27. Van der Ven, A and Ceder, G (2003). Impurity-Induced Van der Waals Transition During DecohesionPhysical Review B, 67(6).

  28. De Dompablo, M, Van der Ven, A, and Ceder, G (2002). First-Principles Calculations Of Lithium Ordering And Phase Stability On Lixnio2Physical Review B, 66(6).

  29. 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 HydridesPhysical Review B, 66(14).

  30. De Dompablo, M, Marianetti, C, Van der Ven, A, and Ceder, G (2001). Jahn-Teller Mediated Ordering In Layered Lixmo2 CompoundsPhysical Review B, 6314(14):Art. No..

  31. Reed, J, Ceder, G, and Van der Ven, A (2001). Layered-To-Spinel Phase Transition In Lixmno2Electrochemical And Solid State Letters, 4(6):A78.

  32. Van der Ven, A and Ceder, G (2001). Lithium Diffusion Mechanisms In Layered Intercalation CompoundsJournal Of Power Sources, 97-8:529.

  33. Van der Ven, A, Ceder, G, Asta, M, and Tepesch, P (2001). First-Principles Theory Of Ionic Diffusion With Nondilute CarriersPhysical Review B, 6418(18).

  34. Van der Ven, A and Ceder, G (2000). Lithium Diffusion In Layered Lixcoo2Electrochemical And Solid State Letters, 3(7):301.

  35. Ceder, G and Van der Ven, A (1999). Phase Diagrams Of Lithium Transition Metal Oxides: Investigations From First PrinciplesElectrochimica Acta, 45(1-2):131.

  36. Ven, AVd and Ceder, G (1999). Electrochemical properties of spinel LixCoO2: A first-principles investigationPhysical Review B, 59(2):742-749.

  37. 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 ContributionsJournal of the American Ceramic Society, 81(3):517-525.

  38. Ceder, G, Van der Ven, A, and Aydinol, M (1998). Lithium-Intercalation Oxides For Rechargeable BatteriesJom-Journal Of The Minerals Metals & Materials Society, 50(9):35.

  39. Van der Ven, A, Aydinol, M, and Ceder, G (1998). First-Principles Evidence For Stage Ordering In LixCoO2Journal Of The Electrochemical Society, 145(6):2149.

  40. Van der Ven, A, Aydinol, M, Ceder, G, Kresse, G, and Hafner, J (1998). First-Principles Investigation Of Phase Stability In LixCoO2Physical Review B, 58(6):2975.