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First-principles density functional calculation of electrochemical stability of fast Li ion conducting garnet-type oxides
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The 46 checked references that resolve
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Lithium ion conductivity of polycrystalline perovskite La0.67âxLi3xTiO3 with ordered and disordered arrangements of the A-site ions
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On the Location of Li+ Cations in the Fast Li-Cation Conductor La0.5Li0.5TiO3 Perovskite
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Ionic conductivity, lithium insertion and extraction of lanthanum lithium titanate
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Octahedral tilting and ordering of vacancies in the fast ion conductor Li0.12La0.63TiO3 perovskite: a neutron diffraction study
resolves10.1016/S0167-2738(02)00142-X
In search of the cubic phase of the Li+ ion-conducting perovskite La2/3−xLi3xTiO3: structure and properties of quenched and in situ heated samples
resolves10.1006/jssc.2002.9560
Crystal Structure of a Lithium Ion-Conducting Perovskite La2/3−xLi3xTiO3 (x=0.05)
resolves10.1016/S0167-2738(02)00100-5
Modeling Li-ion conductivity in fast ionic conductor La2/3−xLi3xTiO3
resolves10.1016/j.jssc.2003.10.036
Structural changes produced during heating of the fast ion conductor Li0.18La0.61TiO3. A neutron diffraction study
resolves10.1021/cm0709469
First-Principles Modeling of Lithium Ordering in the LLTO (Li<i><sub>x</sub></i>La<sub>2/3</sub><sub>-</sub><i><sub>x</sub></i><sub>/3</sub>TiO<sub>3</sub>) Superionic Conductor
resolves10.2109/jcersj2.117.911
Arrangement of La and vacancies in La2/3TiO3 predicted by first-principles density functional calculation with cluster expansion and Monte Carlo simulation
resolves10.1021/jp046062j
Changes in Electronic Structure upon Lithium Insertion into the A-Site Deficient Perovskite Type Oxides (Li,La)TiO<sub>3</sub>
resolves10.2109/jcersj2.119.189
Fabrication of Li0.35La0.55TiO3 solid electrolyte with two-layered structure for all-solid-state Li battery by a colloidal crystal templating method
resolves10.1016/j.jpowsour.2011.04.047
Fabrication of all-solid-state lithium battery with lithium metal anode using Al2O3-added Li7La3Zr2O12 solid electrolyte
resolves10.1111/j.1151-2916.2003.tb03318.x
Novel Fast Lithium Ion Conduction in Garnet‐Type Li
<sub>5</sub>
La
<sub>3</sub>
M
<sub>2</sub>
O
<sub>12</sub>
(M = Nb, Ta)
resolves10.1021/cm031176d
Crystal Structure Revision and Identification of Li<sup>+</sup>-Ion Migration Pathways in the Garnet-like Li<sub>5</sub>La<sub>3</sub>M<sub>2</sub>O<sub>12</sub> (M = Nb, Ta) Oxides
resolves10.1002/adfm.200400044
Li<sub>6</sub>ALa<sub>2</sub>Ta<sub>2</sub>O<sub>12</sub> (A = Sr, Ba): Novel Garnet‐Like Oxides for Fast Lithium Ion Conduction
resolves10.1002/anie.200701144
Fast Lithium Ion Conduction in Garnet‐Type Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub>
resolves10.1103/PhysRevB.58.2975
First-principles investigation of phase stability in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Li</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1039/b901825e
First principles computational materials design for energy storage materials in lithium ion batteries
resolves10.1103/PhysRevB.56.1354
<i>Ab initio</i>study of lithium intercalation in metal oxides and metal dichalcogenides
resolves10.1039/B514640B
The structure of lithium garnets: cation disorder and clustering in a new family of fast Li
<sup>+</sup>
conductors
resolves10.1103/PhysRevB.54.11169
Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
resolves10.1016/0927-0256(96)00008-0
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
resolves10.1016/0167-577X(88)90011-0
Remarks on a ternary phase in the La2O3Me2O5Li2O system (Me=Nb, Ta)
resolves10.1016/j.materresbull.2007.10.035
Structure and lithium ion conductivity of garnet-like Li5La3Sb2O12 and Li6SrLa2Sb2O12
resolves10.1016/j.mseb.2007.07.009
Structure and lithium ion conductivity of bismuth containing lithium garnets Li5La3Bi2O12 and Li6SrLa2Bi2O12
resolves10.1103/PhysRevB.79.085104
Calculation of the lattice constant of solids with semilocal functionals
resolves10.1103/PhysRevB.44.943
Band theory and Mott insulators: Hubbard<i>U</i>instead of Stoner<i>I</i>
resolves10.1088/0953-8984/9/4/002
First-principles calculations of the electronic structure and spectra of strongly correlated systems: the<b>LDA</b>+<i>U</i>method
resolves10.1103/PhysRevB.83.121101
Effective Coulomb interaction in transition metals from constrained random-phase approximation
resolves10.1016/j.ssi.2006.06.028
Ab initio density functional study on changes in local structure in perovskite compound, LixLa1/3NbO3
resolves10.1021/cm020741u
Using X-ray Absorption Spectroscopy to Measure Changes of Electronic Structure Accompanying Lithium Insertion into the Perovskite Type Oxides
resolves10.1016/j.ssi.2004.02.031
Changes in electronic structure upon lithium insertion reaction into the A-site-deficient perovskite-type oxides, Gd1/3TaO3
resolves10.1021/jp0258659
Electrochemical Lithium Insertion for Perovskite Oxides of Li<i><sub>y</sub></i>La<sub>(1</sub><sub>-</sub><i><sub>y</sub></i><sub>)/3</sub>NbO<sub>3</sub> (<i>y</i> = 0, 0.1, 0.25)
resolves10.1103/RevModPhys.73.515
Phonons and related crystal properties from density-functional perturbation theory
resolves10.1107/S0021889808012016
<i>VESTA</i>: a three-dimensional visualization system for electronic and structural analysis
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