Li and Na Diffusion in TiO2 from Quantum Chemical Theory versus Electrochemical Experiment
- 1 August 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 119 (31), 7374-7380
- https://doi.org/10.1021/ja9708629
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Theoretical study of lithium intercalation in rutile and anatasePhysical Review B, 1996
- Electronic and geometrical structure of bulk rutile studied with Hartree-Fock and density functional methodsInternational Journal of Quantum Chemistry, 1996
- Study of nanocrystalline TiO2 (anatase) electrode in the accumulation regimeJournal of Electroanalytical Chemistry, 1995
- Rocking Chair Lithium Battery Based on Nanocrystalline TiO2 (Anatase)Journal of the Electrochemical Society, 1995
- Structural, vibrational and electronic properties of a crystalline hydrate from ab initio periodic Hartree–Fock calculationsActa crystallographica Section B, Structural science, crystal engineering and materials, 1994
- Theoretical analysis of the structures of titanium dioxide crystalsPhysical Review B, 1993
- On the elastic properties of lithium, sodium and potassium oxide. An ab initio studyChemical Physics, 1991
- A periodic ab initio extended basis set study of α-Al2O3Molecular Physics, 1991
- Pseudopotential periodic hartree-fock study of rutile TiO2Journal of Physics and Chemistry of Solids, 1991
- Hartree-Fock Ab Initio Treatment of Crystalline SystemsPublished by Springer Nature ,1988