Nano Home

NANOlab Center of Excellence literature database

Home |  Show All |  Simple Search |  Advanced Search
Quick Search:
1–1 of 1 record found matching your query (RSS):
toggle visibility
Search within Results:
Display Options:
Select All    Deselect All << 1 >>
List View
 | 
Citations
 | 
Details
   print
  Record Links
Author Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M. url  doi
openurl 
  Title Carbon clusters: from ring structures to nanographene Type A1 Journal article
  Year (down) 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 81 Issue 19 Pages 195414,1-195414,12  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The lowest-energy configurations of Cn(n≤55) clusters are obtained using the energy-minimization technique with the conjugate gradient method where a modified Brenner potential is invoked to describe the carbon and hydrocarbon interaction. We found that the ground-state configuration consists of a single ring for small number of C atoms and multiring structures are found with increasing n, which can be in planar, bowl-like or caplike form. Contrary to previous predictions, the binding energy Eb does not show even-odd oscillations and only small jumps are found in the Eb(n) curve as a consequence of specific types of edges or equivalently the number of secondary atoms. We found that hydrogenation of the edge atoms may change the ground-state configuration of the nanocluster. In both cases we determined the magic clusters. Special attention is paid to trigonal and hexagonal shaped carbon clusters and to clusters having a graphenelike configuration. Trigonal clusters are never the ground state while hexagonal-shaped clusters are only the ground state when they have zigzag edges.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000278142000103 Publication Date 2010-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 55 Open Access  
  Notes ; This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:83385 Serial 278  
Permanent link to this record
Select All    Deselect All << 1 >>
List View
 | 
Citations
 | 
Details
   print
toggle visibility
Save Citations:
Export Records:
Home CQL Search  |  Library Search  |  Show Record  |  Extract Citations Help