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Journal of Chemical Theory and Computation
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January 14, 2025
Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation
Andrew R McCluskey, Samuel W Coles, Benjamin J Morgan
Physical Review Letters
|
October 2, 2009
Acceptor levels in p-type Cu(2)O: rationalizing theory and experiment
David O Scanlon, Benjamin J Morgan, Graeme W Watson, et al.
Physical Review Letters
|
April 16, 2016
Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li_{7}La_{3}Zr_{2}O_{12}
Mario Burbano, Dany Carlier, Florent Boucher, et al.
The Journal of Chemical Physics
|
January 26, 2010
Understanding conductivity anomalies in Cu(I)-based delafossite transparent conducting oxides: Theoretical insights
David O Scanlon, Kate G Godinho, Benjamin J Morgan, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 9, 2006
An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of alpha-AlF3 nanoparticles
Santanu Chaudhuri, Peter Chupas, Benjamin J Morgan, et al.
Nature Materials
|
May 13, 2024
Phase segregation and nanoconfined fluid O<sub>2</sub> in a lithium-rich oxide cathode
Kit McColl, Samuel W Coles, Pezhman Zarabadi-Poor, et al.
Chemical Communications (Cambridge, England)
|
August 22, 2018
Controlled hydroxy-fluorination reaction of anatase to promote Mg<sup>2+</sup> mobility in rechargeable magnesium batteries
Jiwei Ma, Toshinari Koketsu, Benjamin J Morgan, et al.
Inorganic Chemistry
|
July 17, 2020
Local Charge Inhomogeneity and Lithium Distribution in the Superionic Argyrodites Li<sub>6</sub>PS<sub>5</sub>X (X = Cl, Br, I)
Nicolò Minafra, Marvin A Kraft, Tim Bernges, et al.
The Journal of Physical Chemistry Letters
|
December 26, 2019
Descriptors for Electron and Hole Charge Carriers in Metal Oxides
Daniel W Davies, Christopher N Savory, Jarvist M Frost, et al.
The Journal of Physical Chemistry Letters
|
September 3, 2019
Highly Anisotropic Thermal Transport in LiCoO<sub>2</sub>
Hui Yang, Jia-Yue Yang, Christopher N Savory, et al.
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of 4
Search research articles
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Showing results (11-20 of 36) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
January 14, 2025
Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation
Andrew R McCluskey, Samuel W Coles, Benjamin J Morgan
Physical Review Letters
|
October 2, 2009
Acceptor levels in p-type Cu(2)O: rationalizing theory and experiment
David O Scanlon, Benjamin J Morgan, Graeme W Watson, et al.
Physical Review Letters
|
April 16, 2016
Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li_{7}La_{3}Zr_{2}O_{12}
Mario Burbano, Dany Carlier, Florent Boucher, et al.
The Journal of Chemical Physics
|
January 26, 2010
Understanding conductivity anomalies in Cu(I)-based delafossite transparent conducting oxides: Theoretical insights
David O Scanlon, Kate G Godinho, Benjamin J Morgan, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 9, 2006
An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of alpha-AlF3 nanoparticles
Santanu Chaudhuri, Peter Chupas, Benjamin J Morgan, et al.
Nature Materials
|
May 13, 2024
Phase segregation and nanoconfined fluid O<sub>2</sub> in a lithium-rich oxide cathode
Kit McColl, Samuel W Coles, Pezhman Zarabadi-Poor, et al.
Chemical Communications (Cambridge, England)
|
August 22, 2018
Controlled hydroxy-fluorination reaction of anatase to promote Mg<sup>2+</sup> mobility in rechargeable magnesium batteries
Jiwei Ma, Toshinari Koketsu, Benjamin J Morgan, et al.
Inorganic Chemistry
|
July 17, 2020
Local Charge Inhomogeneity and Lithium Distribution in the Superionic Argyrodites Li<sub>6</sub>PS<sub>5</sub>X (X = Cl, Br, I)
Nicolò Minafra, Marvin A Kraft, Tim Bernges, et al.
The Journal of Physical Chemistry Letters
|
December 26, 2019
Descriptors for Electron and Hole Charge Carriers in Metal Oxides
Daniel W Davies, Christopher N Savory, Jarvist M Frost, et al.
The Journal of Physical Chemistry Letters
|
September 3, 2019
Highly Anisotropic Thermal Transport in LiCoO<sub>2</sub>
Hui Yang, Jia-Yue Yang, Christopher N Savory, et al.
Page
of 4