Ab initiostudies on the stability and electronic structure ofLiCoO2(003) surfaces

[1]  M Schmid,et al.  Two-dimensional oxide on Pd(111). , 2002, Physical review letters.

[2]  P. Casek,et al.  Electron redistribution in low-dimensional oxide structures , 2002 .

[3]  Feng Wu,et al.  Electrochemical Evaluation and Structural Characterization of Commercial LiCoO2 Surfaces Modified with MgO for Lithium-Ion Batteries , 2002 .

[4]  C. Noguera,et al.  Polar oxide surfaces , 2000 .

[5]  G. Kresse,et al.  From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .

[6]  Gerbrand Ceder,et al.  Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides , 1997 .

[7]  Gerbrand Ceder,et al.  Application of first-principles calculations to the design of rechargeable Li-batteries , 1997 .

[8]  G. E. Matthews,et al.  Comparison of the Projector Augmented-Wave, Pseudopotential, and Linearized Augmented- Plane-Wave Formalisms for Density-Functional Calculations of Solids , 1997 .

[9]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[10]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[11]  Hafner,et al.  Ab initio molecular dynamics for liquid metals. , 1995, Physical review. B, Condensed matter.

[12]  Kieffer Mechanical degradation and viscous dissipation in B2O3. , 1994, Physical review. B, Condensed matter.

[13]  Hafner,et al.  Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. , 1994, Physical review. B, Condensed matter.

[14]  T. Ohzuku,et al.  Comparative study of LiCoO2, LiNi12Co12O2 and LiNiO2 for 4 volt secondary lithium cells , 1993 .

[15]  Jackson,et al.  Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.

[16]  Sawatzky,et al.  Band-theory description of high-energy spectroscopy and the electronic structure of LiCoO2. , 1992, Physical review. B, Condensed matter.

[17]  J. Dahn,et al.  Electrochemical and In Situ X‐Ray Diffraction Studies of Lithium Intercalation in Li x CoO2 , 1992 .

[18]  Wang,et al.  Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.

[19]  Kuiper,et al.  Electronic structure of CoO, Li-doped CoO, and LiCoO2. , 1991, Physical review. B, Condensed matter.

[20]  Ronald B. Goldner,et al.  Recent Research Related To The Development Of Electrochromic Windows , 1985, Optics & Photonics.

[21]  P. Wiseman,et al.  Cobalt(III) lithium oxide, CoLiO2: structure refinement by powder neutron diffraction , 1984 .

[22]  Kai-Ming Ho,et al.  First-principles calculation of the equilibrium ground-state properties of transition metals: Applications to Nb and Mo , 1983 .

[23]  P. W. Tasker,et al.  The stability of ionic crystal surfaces , 1979 .

[24]  H. Monkhorst,et al.  SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .

[25]  W. Kohn,et al.  Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .

[26]  P. Hohenberg,et al.  Inhomogeneous Electron Gas , 1964 .

[27]  Ueno,et al.  Stability of the wurtzite-type structure under high pressure: GaN and InN. , 1994, Physical review. B, Condensed matter.