The Relative Thermodynamic Stability of Diamond and Graphite

The Relative Thermodynamic Stability of Diamond and Graphite

Recent density‐functional theory (DFT) calculations raised the possibility that diamond could be degenerate with graphite at very low temperatures. Through high‐accuracy calorimetric experiments closing gaps in available data, we reinvestigate the relative thermodynamic stability of diamond and grap...

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Veröffentlicht in:Angewandte Chemie International Edition 2021-01, Vol.60 (3), p.1546-1549
Hauptverfasser: White, Mary Anne, Kahwaji, Samer, Freitas, Vera L. S., Siewert, Riko, Weatherby, Joseph A., Ribeiro da Silva, Maria D. M. C., Verevkin, Sergey P., Johnson, Erin R., Zwanziger, Josef W.
Format: Artikel
Sprache:eng
Schlagworte:
density-functional calculations
diamond
Diamonds
Entropy
Graphite
Low temperature
Mathematical analysis
phase stability
Pressure
Stability
thermodynamics
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Zusammenfassung:Recent density‐functional theory (DFT) calculations raised the possibility that diamond could be degenerate with graphite at very low temperatures. Through high‐accuracy calorimetric experiments closing gaps in available data, we reinvestigate the relative thermodynamic stability of diamond and graphite. For T
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.202009897