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|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||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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