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https://hdl.handle.net/20.500.14279/1499| Τίτλος: | Energetics and stability of nanostructured amorphous carbon | Συγγραφείς: | Fyta, Maria G. Remediakis, Ioannis N. Kelires, Pantelis C. |
metadata.dc.contributor.other: | Κελίρης, Παντελής | Major Field of Science: | Engineering and Technology | Field Category: | ENGINEERING AND TECHNOLOGY | Λέξεις-κλειδιά: | Carbon;Thermodynamics;Chemical structure;Energy transfer | Ημερομηνία Έκδοσης: | 2003 | Πηγή: | Physical Review B, 2003, vol. 67, no. 3, pp. 354231-354236 | Volume: | 67 | Issue: | 3 | Start page: | 354231 | End page: | 354236 | Περιοδικό: | Physical Review B | Περίληψη: | 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: | https://hdl.handle.net/20.500.14279/1499 | ISSN: | 10980121 | DOI: | 10.1103/PhysRevB.67.035423 | Rights: | © The American Physical Society | Type: | Article | Affiliation: | University of Crete | Affiliation: | University of Crete |
| Εμφανίζεται στις συλλογές: | Άρθρα/Articles |
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