Multiscale study of hydrogen diffusion and clustering on carbon nanotube

Journal of Nanoscience and Nanotechnology

Volumn 9, Issue 7, 2009, Pages 4246-4253

  Vehvilainen, T T ^a   Ganchenkova, M G ^a   Borodin, V A ^b   Nieminen, R M ^a  

^a AALTO UNIVERSITY   (Finland)

^b KURCHATOV INSTITUTE   (Russian Federation)

Author keywords

Carbon; Density functional theory; Hydrogen; Monte carlo simulations; Nanotube

Indexed keywords

ANNEALING CONDITION; CLUSTER SIZES; CLUSTERIZATION; HYDROGEN ADATOMS; HYDROGEN ANNEALING; HYDROGEN ATOMS; HYDROGEN DIFFUSION; HYDROGEN DIMERS; LATTICE KINETICS; MIGRATION BARRIERS; MONTE CARLO SIMULATIONS; MULTISCALES; SYSTEMATIC STUDY;

ADATOMS; BINDING ENERGY; CHEMISORPTION; COMPUTER SIMULATION; COSMIC RAY DETECTORS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; HYDROGEN; MONTE CARLO METHODS; OLIGOMERS; OPTICAL RESOLVING POWER; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RADIATION DAMAGE; SURFACE RECONSTRUCTION; WAVE FUNCTIONS;

CARBON NANOTUBES;

EID: 70350331887     PISSN: 15334880     EISSN: None     Source Type: Journal    
DOI: 10.1166/jnn.2009.M41     Document Type: Conference Paper

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