Sparse Cyclic Excitations Explain the Low Ionic Conductivity of StoichiometricLi7La3Zr2O12

Fast Solid-State Li Ion Conducting Garnet-Type Structure Metal Oxides for Energy Storage

(2015) Venkataraman Thangadurai et al.   Journal of Physical Chemistry Letters

Local structure and dynamics of lithium garnet ionic conductors: tetragonal and cubic Li7La3Zr2O7

(2015) Matthew Klenk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Garnet-type solid-state fast Li ion conductors for Li batteries: critical review

(2014) Venkataraman Thangadurai et al.   CHEMICAL SOCIETY REVIEWS

Solid-State Electrolytes: Revealing the Mechanisms of Li-Ion Conduction in Tetragonal and Cubic LLZO by First-Principles Calculations

(2014) Katharina Meier et al.   Journal of Physical Chemistry C

Ceria co-doping: synergistic or average effect?

(2014) Mario Burbano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Relationships between Atomic Diffusion Mechanisms and Ensemble Transport Coefficients in Crystalline Polymorphs

(2014) Benjamin J. Morgan et al.   PHYSICAL REVIEW LETTERS

Concerted Migration Mechanism in the Li Ion Dynamics of Garnet-Type Li7La3Zr2O12

(2013) Randy Jalem et al.   CHEMISTRY OF MATERIALS

Effect of Rb and Ta Doping on the Ionic Conductivity and Stability of the Garnet Li7+2x–y(La3–xRbx)(Zr2–yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic Conductor: A First Principles Investigation

(2013) Lincoln J. Miara et al.   CHEMISTRY OF MATERIALS

Strain effects on the ionic conductivity of Y-doped ceria: A simulation study

(2013) Mario Burbano et al.   JOURNAL OF ELECTROCERAMICS

Cubic phases of garnet-type Li7La3Zr2O12: the role of hydration

(2013) G. Larraz et al.   Journal of Materials Chemistry A

Absence of a space-charge-derived enhancement of ionic conductivity in β|γ- heterostructured 7H- and 9R-AgI

(2012) B J Morgan et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The effect of 24c-site (A) cation substitution on the tetragonal–cubic phase transition in Li7−xLa3−xAxZr2O12 garnet-based ceramic electrolyte

(2012) Ezhiylmurugan Rangasamy et al.   JOURNAL OF POWER SOURCES

Mechanisms of Li+transport in garnet-type cubic Li3+xLa3M2O12(M= Te, Nb, Zr)

(2012) Ming Xu et al.   PHYSICAL REVIEW B

Origin of the Structural Phase Transition inLi7La3Zr2O12

(2012) N. Bernstein et al.   PHYSICAL REVIEW LETTERS

Oxygen Vacancy Ordering and the Conductivity Maximum in Y2O3-Doped CeO2

(2011) Mario Burbano et al.   CHEMISTRY OF MATERIALS

Ion transport and phase transition in Li7−xLa3(Zr2−xMx)O12(M = Ta5+, Nb5+, x = 0, 0.25)

(2011) Stefan Adams et al.   JOURNAL OF MATERIALS CHEMISTRY

A dipole polarizable potential for reduced and doped CeO2obtained from first principles

(2011) Mario Burbano et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Li self-diffusion in garnet-type Li7La3Zr2O12as probed directly by diffusion-inducedLi7spin-lattice relaxation NMR spectroscopy

(2011) A. Kuhn et al.   PHYSICAL REVIEW B

Excitations Are Localized and Relaxation Is Hierarchical in Glass-Forming Liquids

(2011) Aaron S. Keys et al.   Physical Review X

Crystal Structure of Fast Lithium-ion-conducting Cubic Li7La3Zr2O12

(2010) Junji Awaka et al.   CHEMISTRY LETTERS

Oxygen ion diffusivity in strained yttria stabilized zirconia: where is the fastest strain?

(2010) Akihiro Kushima et al.   JOURNAL OF MATERIALS CHEMISTRY

High-pressure behaviour of GeO2: a simulation study

(2010) Dario Marrocchelli et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

From Localized Orbitals to Material Properties: Building Classical Force Fields for Nonmetallic Condensed Matter Systems

(2010) Benjamin Rotenberg et al.   PHYSICAL REVIEW LETTERS

Local structure and ionic conductivity in the Zr2Y2O7–Y3NbO7system

(2009) Stefan T Norberg et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Cation composition effects on oxide conductivity in the Zr2Y2O7–Y3NbO7system

(2009) Dario Marrocchelli et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Heat-transport properties of molten fluorides: Determination from first-principles

(2008) Mathieu Salanne et al.   JOURNAL OF FLUORINE CHEMISTRY

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS