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<p>This work focuses on the thermodynamic properties of the synthetic powders and crystals of kesterite, Cu<sub>2</sub>ZnSnS<sub>4</sub>, in a wide temperature range based on in-house measurements of the isobaric heat capacity using adiabatic and differential scanning calorimetry. At temperatures over 318&#xa0;K coefficients of the Maier–Kelley equation in the interval from 5 to 813&#xa0;K were determined, and the standard thermodynamic functions: heat capacity, entropy, enthalpy change and Gibbs energy function have been calculated. At 298.15&#xa0;K, <i>С</i><sub><i>р</i></sub>° = (186.9 ± 0.4) J/(mol· K), <i>S</i>° = (263.5 ± 0.5) J/(mol· K), <i>Н°(298.15&#xa0;K) - Н°(0)</i> = (37.35 ± 0.07) kJ/mol, <i>Ф</i>° = (138.1 ± 0.3) J/(mol· K). Using the literature and reference data ∆<sub><i>f</i></sub><i>G</i>°(Cu<sub>2</sub>ZnSnS<sub>4</sub>, 298.15&#xa0;K) = - (460 ± 6) kJ/mol was calculated. The Debye temperature, equal to 390&#xa0;K, has been calculated from the heat capacity using the fracton data processing method.</p>

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Thermodynamic properties of synthetic kesterite Cu2ZnSnS4

  • 期刊论文

  • 发表日期：

    2026年7月6日

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  • D. A. Chareev,
  • A. V. Tyurin,
  • N. A. Polotnyanko,
  • N. S. Uporova

摘要

This work focuses on the thermodynamic properties of the synthetic powders and crystals of kesterite, Cu2ZnSnS4, in a wide temperature range based on in-house measurements of the isobaric heat capacity using adiabatic and differential scanning calorimetry. At temperatures over 318 K coefficients of the Maier–Kelley equation in the interval from 5 to 813 K were determined, and the standard thermodynamic functions: heat capacity, entropy, enthalpy change and Gibbs energy function have been calculated. At 298.15 K, Ср° = (186.9 ± 0.4) J/(mol· K), S° = (263.5 ± 0.5) J/(mol· K), Н°(298.15 K) - Н°(0) = (37.35 ± 0.07) kJ/mol, Ф° = (138.1 ± 0.3) J/(mol· K). Using the literature and reference data ∆fG°(Cu2ZnSnS4, 298.15 K) = - (460 ± 6) kJ/mol was calculated. The Debye temperature, equal to 390 K, has been calculated from the heat capacity using the fracton data processing method.