Low-Temperature Heat Capacity of CsPbI₃, Cs₄PbI₆, and Cs₃Bi₂I₉

The heat capacities of CsPbI₃, Cs₄PbI₆, and Cs₃Bi₂I₉ were studied using low-temperature thermal relaxation calorimetry in the temperature range of 1.9-300 K. The three compounds are insulators, with no electronic contribution to the heat capacity. None of them show detectable...

Experimental and Computational Exploration of the NaF-ThF₄Fuel System: Structure and Thermochemistry

The structural, thermochemical, and thermophysical properties of the NaF-ThF4 fuel system were studied with experimental methods and molecular dynamics (MD) simulations. Equilibrium MD (EMD) simulations using the polarizable ion model were performed to calculate the density, molar volume, thermal expansion, mixing enthalpy, heat capacity, and...

Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Thermodynamic measurements on BaMoO₄, BaMoO₃ and BaMo₃O₁₀ are reported, that served as input for the development of a thermodynamic model of the Ba-Mo-O system using the CALPHAD methodology. The valence states of molybdenum in BaMoO₄ and BaMoO₃ were confirmed to be VI and IV,...

Thermodynamic assessment of the KF-ThF₄, LiF-KF-ThF₄ and NaF-KF-ThF₄ systems

A thermodynamic assessment of the KF-ThF₄ binary system using the CALPHAD method is presented, where the liquid solution is described by the modified quasichemical formalism in the quadruplet approximation. The optimization of the phase diagram is based on experimental data reported in the literature and newly measured X-ray...

Report of the Double-Molybdate Phase Cs₂Ba(MoO₄)₂ with a Palmierite Structure and Its Thermodynamic Characterization

The existence of a novel double-molybdate phase with a palmierite-type structure, Cs2Ba(MoO4)2, is revealed in this work, and its structural properties at room temperature have been characterized in detail using X-ray and neutron diffraction measurements. In addition, its thermal stability and thermal expansion are investigated in the...

Thermodynamic study of Cs3Na(MoO4)2: Determination of the standard enthalpy of formation and standard entropy at 298.15 K

The enthalpy of formation at 298.15 K and low temperature heat capacity of Cs3Na(MoO4)2 have been measured for the first time in this work using solution calorimetry and thermal-relaxation calorimetry in the temperature range T = (1.9–299.6) K, respectively. The solution calorimetry measurements, performed in 2 M HNO3 solution, have yielded an...

A New Look at the Structural and Magnetic Properties of Potassium Neptunate K₂NpO₄ Combining XRD, XANES Spectroscopy, and Low-Temperature Heat Capacity

The physicochemical properties of the potassium neptunate K₂NpO₄ have been investigated in this work using X-ray diffraction, X-ray absorption near edge structure (XANES) spectroscopy at the Np-L₃ edge, and low-temperature heat capacity measurements. A Rietveld refinement of the crystal structure is reported...

Mössbauer spectroscopy, magnetization, magnetic susceptibility, and low temperature heat capacity of α-Na₂NpO₄

The physical and chemical properties at low temperatures of hexavalent disodium neptunate α-Na₂NpO₄ are investigated for the first time in this work using Mössbauer spectroscopy, magnetization, magnetic susceptibility, and heat capacity measurements. The Np(VI) valence state is confirmed by the isomer shift value of the...