Profile The profile is based on mining the text of the experts' scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

Electrodes Chemical Compounds
Lithium Chemical Compounds
Garnets Chemical Compounds
lithium Physics & Astronomy
garnets Physics & Astronomy
Oxides Chemical Compounds
oxides Physics & Astronomy
Ions Engineering & Materials Science

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Grants 2011 2021

Publications 2004 2017

  • 17 h-Index
  • 31 Article
  • 2 Conference contribution
functionals
garnets
phase transformations
conductors
density functional theory

Lithium self-diffusion in a model lithium garnet oxide Li5La3Ta2O12: A combined quasi-elastic neutron scattering and molecular dynamics study

Klenk, M. J., Boeberitz, S. E., Dai, J., Jalarvo, N. H., Peterson, V. K. & Lai, W. Dec 1 2017 In : Solid State Ionics. 312, p. 1-7 7 p.

Research output: Research - peer-reviewArticle

garnets
elastic scattering
neutron scattering
lithium
molecular dynamics
3 Citations

Finite-size effects on the molecular dynamics simulation of fast-ion conductors: A case study of lithium garnet oxide Li7La3Zr2O12

Klenk, M. J. & Lai, W. Jun 1 2016 In : Solid State Ionics. 289, p. 143-149 7 p.

Research output: Research - peer-reviewArticle

garnets
conductors
lithium
molecular dynamics
oxides
2 Citations

First-principles studies of atomic dynamics in tetrahedrite thermoelectrics

Li, J., Zhu, M., Abernathy, D. L., Ke, X., Morelli, D. T. & Lai, W. Oct 1 2016 In : APL Materials. 4, 10, 104811

Research output: Research - peer-reviewArticle

cupric sulfide
Thermal conductivity
Inelastic neutron scattering
Experiments
Molecular dynamics
17 Citations

Phase Stability, Crystal Structure, and Thermoelectric Properties of Cu12Sb4S13-xSex Solid Solutions

Lu, X., Morelli, D. T., Wang, Y., Lai, W., Xia, Y. & Ozolins, V. Mar 22 2016 In : Chemistry of Materials. 28, 6, p. 1781-1786 6 p.

Research output: Research - peer-reviewArticle

Phase stability
Solid solutions
Substitution reactions
Crystal structure
Thermal conductivity