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pro vyhledávání: '"Ceder G"'
A general continuum theory is developed for ion intercalation dynamics in a single crystal of a rechargeable battery cathode. It is based on an existing phase-field formulation of the bulk free energy and incorporates two crucial effects: (i) anisotr
Externí odkaz:
http://arxiv.org/abs/0707.1858
Publikováno v:
Phys. Rev. B 70, 235121 (2004)
First-principles calculations within the Local Density Approximation (LDA) or Generalized Gradient Approximation (GGA), though very successful, are known to underestimate redox potentials, such as those at which lithium intercalates in transition met
Externí odkaz:
http://arxiv.org/abs/cond-mat/0406382
We report on a significant failure of LDA and GGA to reproduce the phase stability and thermodynamics of mixed-valence Li$_x$FePO$_4$ compounds. Experimentally, Li$_x$FePO$_4$ compositions ($0 \leq x \leq 1$) are known to be unstable and phase separa
Externí odkaz:
http://arxiv.org/abs/cond-mat/0404631
Publikováno v:
Phys. Rev. Lett. 92, 196405 (2004)
Density functional theory (DFT) within the local density approximation (LDA) is used to understand the electronic properties of Na1/3CoO2 and Na1/3CoO2(H2O)4/3, which was recently found to be superconducting1. Comparing the LDA charge density of CoO2
Externí odkaz:
http://arxiv.org/abs/cond-mat/0312514
Publikováno v:
Calphad 26, 539-553 (2002)
Although the formalism that allows the calculation of alloy thermodynamic properties from first-principles has been known for decades, its practical implementation has so far remained a tedious process. The Alloy Theoretic Automated Toolkit (ATAT) dr
Externí odkaz:
http://arxiv.org/abs/cond-mat/0212159
Autor:
van de Walle, A., Ceder, G.
Publikováno v:
A. van de Walle and G. Ceder, J. Phase Equilibria 23, 348 (2002)
Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a ``virtual laboratory'', where materials could be designed from first-principles without relying on experimental
Externí odkaz:
http://arxiv.org/abs/cond-mat/0201511
Autor:
van de Walle, A., Ceder, G.
Publikováno v:
A. van de Walle and G. Ceder, Rev. Mod. Phys. 74, 11-45 (2002).
A longstanding limitation of first-principles calculations of substitutional alloy phase diagrams is the difficulty to account for lattice vibrations. A survey of the theoretical and experimental literature seeking to quantify the impact of lattice v
Externí odkaz:
http://arxiv.org/abs/cond-mat/0106490
Autor:
Simonsen, K. Wiese, Normann, P.T., Ceder, G., Vuori, E., Thordardottir, S., Thelander, G., Hansen, A.C., Teige, B., Rollmann, D.
Publikováno v:
In Forensic Science International 2011 207(1):170-176
Publikováno v:
Nature Reviews Materials, vol 6, iss 9
An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::20c4f3693363af6fa9ad3d1729cfb6a0
https://escholarship.org/uc/item/70t5h4fw
https://escholarship.org/uc/item/70t5h4fw
Publikováno v:
Journal of Materials Chemistry A, vol 9, iss 34
Discovering high-energy cathode materials is critical to construct K-ion batteries for practical applications. Owing to the great success of layered oxides in Li- and Na-ion systems, K layered cathodes have also been investigated in recent years. How
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::02660c45468cc4dc5cf75dfa6f518884
https://escholarship.org/uc/item/61k864qx
https://escholarship.org/uc/item/61k864qx