Relative Thermodynamic Stability of Diamond and Graphite.

  title={Relative Thermodynamic Stability of Diamond and Graphite.},
  author={Mary Anne White and Samer Kahwaji and Vera L. S. Freitas and Riko Siewert and Joseph A. Weatherby and Maria D.M.C. Ribeiro da Silva and Sergey P. Verevkin and Erin R. Johnson and Josef W. Zwanziger},
  journal={Angewandte Chemie},
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 < 400 K, graphite is always more stable than diamond at ambient pressure. At low temperatures, the stability is enthalpically driven, and entropy terms add to the stability at higher… 
2 Citations
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Diamond: electronic ground state of carbon at temperatures approaching 0 K.
  • W. Grochala
  • Chemistry, Materials Science
    Angewandte Chemie
  • 2014
The relative stability of graphite and diamond is revisited with hybrid density functional theory calculations and graphite gains thermodynamic stability over diamond at 298 K only because of the differences in the zero-point energy, specific heat, and entropy terms for both polymorphs.
A revised diamond-graphite transition curve
Abstract The transition from diamond to graphite is a key equilibrium for interpreting ultrahigh-pressure metamorphic rocks. Despite widespread interest, there remain significant systematic
The Specific Heat of Graphite from 13° to 300°K
The specific heat of high‐purity Acheson graphite prepared by the National Carbon Company has been measured from 13° to 300°K. In the region 13° to 54°K the Cp data follows a T2 dependence quite
Specific Heat of Diamond at Low Temperatures
Specific heat data on diamond at temperatures between 20° and 300°K are reported. Comparisons of the data have been made with the predictions of the Debye theory. The deviation of the specific heat
Heat Capacity of Diamond at High Temperatures
The enthalpy of gem diamonds has been measured from 273° to 1073°K using a ``drop'' method and a Bunsen ice calorimeter. The derived heat‐capacity values, which are believed to be accurate to ±0.5%,
The heat capacity of diamond between 12·8° and 277°k
Abstract The heat capacity of 160 g of diamonds has been measured in the temperature range 12·8° to 277°k with estimated accuracies of ±20% at 13°k, ±6% at 20°k, ±0·8% at 100°k and ±0·2% for T200°k.
First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange–Correlation Functionals and Dispersion Interactions
Various properties of two polymorphs of carbon, highly oriented pyrolytic graphite (HOPG) and diamond, were investigated at the ab initio level using different Hamiltonians with all-electron