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Volumn 112, Issue 10, 2008, Pages 3509-3514

Theoretical insight into faceted zns nanowires and nanotubes from interatomic potential and first-principles calculations

Author keywords

[No Author keywords available]

Indexed keywords

BORON; BORON NITRIDE; ELECTRIC WIRE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; GALLIUM ALLOYS; LITHIUM BATTERIES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTUBES; NANOWIRES; NITRIDES; NONMETALS; OPTICAL DESIGN; SOLID STATE PHYSICS; TUBES (COMPONENTS); WALLS (STRUCTURAL PARTITIONS); ZINC;

EID: 47249098978     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp0770559     Document Type: Article
Times cited : (42)

References (43)
  • 31
    • 47249110167 scopus 로고    scopus 로고
    • 1997, 78, 1396.
    • (1997) , vol.1396 , Issue.78
  • 40
    • 47249101453 scopus 로고    scopus 로고
    • The V) and total surface (inner and outer) area (S) of a faceted ZnS-NT with a hexagonal prism morphology per supercell can be expressed as: V, 6 × √3/4 × (R out2, Rin2) × c, S, 6 × (Rout, Rin) × c, where c is the lattice constant along the axial direction, as denoted in the inset of Figure 2. Supporting the energy increase of the faceted ZnS-NT with respect to the w-ZnS crystal arises entirely from the surface energy, S × Esurf; the E from of the ZnS-NT in per ZnS unit can thus be evaluated using the equation Efrom, S × E surf, V × n, 4 × E surf)(√3 × n × Rout;, Rin, where n is the
    • in)) where n is the atomic density (ZnS units per volume).
  • 41
    • 47249150421 scopus 로고    scopus 로고
    • Generally, the lower the formation energy of a nanostructure, the the higher manufacturability. However, the synthesis of ZnS nanomaterials itself is rather complicated and should not depend entirely on energetics. In this work, we deduced the manufacturability of these ZnS nanomaterials simply on the basis on their formation energies. The kinetic components that are quite important for understanding the growth of nanomaterials were not taken into account
    • Generally, the lower the formation energy of a nanostructure, the the higher manufacturability. However, the synthesis of ZnS nanomaterials itself is rather complicated and should not depend entirely on energetics. In this work, we deduced the manufacturability of these ZnS nanomaterials simply on the basis on their formation energies. The kinetic components that are quite important for understanding the growth of nanomaterials were not taken into account.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.