Advanced Materials · 2008 · 344 citations · 15 references
Natural SciencesMaterials EngineeringMaterials ScienceElectrochemical EngineeringEnergy MaterialsNanomaterialsAnode MaterialsBattery MaterialsInorganic NanoparticlesMetal Oxide NanomaterialsMetal OxidesNanomaterials For Energy StorageHigh-capacity Anode MaterialsLithium-ion BatteriesLithium-ion Battery Anode MaterialsLithium-ion Battery ChemistryLithium-ion Battery Electrodes Based On Metal OxidesLithium-ion Battery Materials
Li-ion battery anodes fabricated from crystalline MoO3 nanoparticles display an anomalous reversible capacity of 630 mAhg−1 when cycled at high rate. The nanoparticle anodes show no degradation in capacity for 150 cycles, where micron sized MoO3 particles are shown to fail after several cycles. Theoretical calculations elucidate the Li-ion intercalation mechanism and explain the reversible capacity. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2089/2008/adma200800999_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Natural Sciences, Chemistry, Physics +17
A molecular dynamics method for simulations in the canonical ensemble
Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations
Natural Sciences, Chemistry, Physics +15