Surface effects on atomic diffusion in a superionic conductor: A molecular dynamics study of lithium oxide
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
Reference17 articles.
1. Atomistic simulation of oxide surfaces
2. Quasiharmonic free energy and derivatives for slabs: Oxide surfaces at elevated temperatures
3. Hartree-fock ab initio study of relaxation and electronic structure of lithium oxide slabs
4. Effect of the quality of the atomic orbitals basis set on the relaxation and electronic structure of the (110) surface of lithium oxide
5. Ab initio calculations for dissociative hydrogen adsorption on lithium oxide surfaces
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1. Oxidization of fluid-like Li metal with inherent Li Li2O interface from simulation insights;Journal of Materiomics;2020-12
2. Transport and Charge Carrier Chemistry in Lithium Oxide;Journal of The Electrochemical Society;2019
3. Spatial Heterogeneities and Onset of Passivation Breakdown at Lithium Anode Interfaces;The Journal of Physical Chemistry C;2017-09-08
4. The investigation of adsorption and dissociation of H 2 O on Li 2 O (111) by ab initio theory;Applied Surface Science;2017-06
5. Dissociation mechanism of H2 molecule on the Li2O/hydrogenated-Li2O (111) surface from first principles calculations;RSC Advances;2017
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