Electrically active screw dislocations in helical ZnO and Si nanowires and nanotubes

ACS Nano

Volumn 6, Issue 11, 2012, Pages 10042-10049

  Akatyeva, Evgeniya ^a   Kou, Liangzhi ^b   Nikiforov, Ilia ^a   Frauenheim, Thomas ^b   Dumitricǎ, Traian ^a  

^a University of Minnesota   (United States)

^b UNIVERSITY OF BREMEN   (Germany)

Author keywords

electrical properties; Eshelby twist; nanotubes; nanowires; objective molecular dynamics; screw dislocations

Indexed keywords

BAND-GAP MODIFICATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY FUNCTIONALS; DISLOCATION MECHANISMS; ESHELBY; GROWTH PROCESS; MOLECULAR DYNAMICS SIMULATIONS; SI NANOWIRE; TIGHT BINDING MODEL; WALL THICKNESS; ZNO;

DENSITY FUNCTIONAL THEORY; ELECTRIC PROPERTIES; ELECTRONIC PROPERTIES; ENERGY GAP; MOLECULAR DYNAMICS; NANOWIRES; SCREW DISLOCATIONS; SCREWS; SILICON; ZINC OXIDE;

NANOTUBES;

NANOMATERIAL; SILICON; ZINC OXIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CRYSTALLIZATION; ELECTROMAGNETIC FIELD; MACROMOLECULE; MATERIALS TESTING; METHODOLOGY; MOLECULAR DYNAMICS; PARTICLE SIZE; RADIATION EXPOSURE; SURFACE PROPERTY; ULTRASTRUCTURE;

COMPUTER SIMULATION; CRYSTALLIZATION; ELECTROMAGNETIC FIELDS; MACROMOLECULAR SUBSTANCES; MATERIALS TESTING; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; NANOSTRUCTURES; PARTICLE SIZE; SILICON; SURFACE PROPERTIES; ZINC OXIDE;

EID: 84870416086     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn303747c     Document Type: Article

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