Enhanced Thermal Diffusion of Li in Graphite by Alternating Vertical Electric Field: A Hybrid Quantum-Classical Simulation Study
暂无分享,去创建一个
[1] A. Fisher,et al. Single-cycle terahertz pulses with >0.2 V/Å field amplitudes via coherent transition radiation , 2011 .
[2] Ryo Kobayashi,et al. Stress-induced nano-oxidation of silicon by diamond-tip in moisture environment: A hybrid quantum-classical simulation study , 2010 .
[3] Yoyo Hinuma,et al. Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations , 2010 .
[4] Y. Koyama,et al. Effects of Off-Stoichiometry of LiC6 on the Lithium Diffusion Mechanism and Diffusivity by First Principles Calculations , 2010 .
[5] R. Gajić,et al. Optical Characterization of Graphene and Highly Oriented Pyrolytic Graphite , 2009 .
[6] Yukinori Koyama,et al. First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound , 2008 .
[7] Shuji Ogata,et al. Activation Energy for Oxygen Diffusion in Strained Silicon : A Hybrid Quantum-Classical Simulation Study with the Nudged Elastic Band Method(Condensed matter : electronic structure and electrical, magnetic, and optical properties) , 2008 .
[8] Shuji Ogata. Buffered-cluster method for hybridization of density-functional theory and classical molecular dynamics: Application to stress-dependent reaction of H2O on nanostructured Si , 2005 .
[9] J. Prakash,et al. Evaluation of Electrochemical Interface Area and Lithium Diffusion Coefficient for a Composite Graphite Anode , 2004 .
[10] Rajiv K. Kalia,et al. Hybrid quantum mechanical/molecular dynamics simulation on parallel computers: density functional theory on real-space multigrids , 2002 .
[11] Rajiv K. Kalia,et al. Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers , 2001 .
[12] Timothy Campbell,et al. A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors , 2000, Future Gener. Comput. Syst..
[13] Minoru Inaba,et al. Impedance Study on the Electrochemical Lithium Intercalation into Natural Graphite Powder , 1998 .
[14] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[15] Y. Saad,et al. Finite-difference-pseudopotential method: Electronic structure calculations without a basis. , 1994, Physical review letters.
[16] Martins,et al. Efficient pseudopotentials for plane-wave calculations. , 1991, Physical review. B, Condensed matter.
[17] D. Brenner,et al. Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. , 1990, Physical review. B, Condensed matter.
[18] Rachid Yazami,et al. A reversible graphite-lithium negative electrode for electrochemical generators , 1983 .
[19] D. Brandt,et al. Multi-level adaptive solutions to boundary-value problems math comptr , 1977 .
[20] O. L. Blakslee,et al. Elastic Constants of Compression-Annealed Pyrolytic Graphite , 1970 .