A computational study of Na behavior on graphene

Applied Surface Science

Volumn 333, Issue , 2015, Pages 235-243

  Malyi, Oleksandr I ^a,b   Sopiha, Kostiantyn ^c   Kulish, Vadym V ^c   Tan, Teck L ^d   Manzhos, Sergei ^b   Persson, Clas ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^c SINGAPORE UNIVERSITY OF TECHNOLOGY AND DESIGN   (Singapore)

^d INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

DFT; Diffusion; Graphene; Na ion battery; van der Waals

Indexed keywords

ANODES; ATOMS; BINARY ALLOYS; BINDING ENERGY; CALCULATIONS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DIFFUSION; DIMERS; DISPERSIONS; GRAPHENE; METAL ANALYSIS; MOLECULAR DYNAMICS; SODIUM-ION BATTERIES; VAN DER WAALS FORCES;

COMPUTATIONAL STUDIES; DIFFUSION PATHWAYS; DISPERSION CORRECTION; GENERALIZED GRADIENT APPROXIMATIONS; METAL COHESIVE ENERGY; MIGRATION BARRIERS; SINGLE ATOM DIFFUSION; VAN DER WAALS;

SODIUM COMPOUNDS;

EID: 84930228015     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.01.236     Document Type: Article

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