Please use this identifier to cite or link to this item: http://ktisis.cut.ac.cy/handle/10488/7589
Title: Energetics and stability of nanostructured amorphous carbon
Authors: Fyta, Maria G. 
Remediakis, Ioannis N. 
Kelires, Pantelis C. 
Keywords: Carbon
Thermodynamics
Chemical structure
Energy transfer
Issue Date: 2003
Publisher: APS American Physical Society
Source: Physical Review B - Condensed Matter and Materials Physics,2003, Volume 67, Issue 3, Pages 354231-354236
Abstract: Monte Carlo simulations, supplemented by ab initio calculations, shed light onto the energetics and thermodynamic stability of nanostructured amorphous carbon. The interaction of the embedded nanocrystals with the host amorphous matrix is shown to determine in a large degree the stability and the relative energy differences among carbon phases. Diamonds are stable structures in matrices with sp3 fraction over 60%. Schwarzites are stable in low-coordinated networks. Other sp2-bonded structures are metastable.
URI: http://ktisis.cut.ac.cy/handle/10488/7589
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.67.035423
Rights: © 2003 The American Physical Society
Appears in Collections:Άρθρα/Articles

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