ABSTRACT

Enthalpies of solution of hybrid perovskites CH3NH3PbX3 (X = Cl, Br, I) in DMSO were measured using solution calorimetry. Standard enthalpies and Gibbs free energies of formation of CH3NH3PbX3 (X = Cl, Br, I) hybrid perovskites from halides as well as from elements at 298 K were calculated on the basis of experimental data obtained and compared with the data available in literature. Excellent agreement was obtained between the standard Gibbs free energy of decomposition of CH3NH3PbX3 into solid PbX2, gaseous HX and methylamine calculated on the basis of our data and that evaluated on the basis of vapor pressure measurement results reported by other authors. Entropy contribution was shown to play a major role in the stability of hybrid organic inorganic perovskites with respect to their decomposition on constituent halides.

Compounds

#	Formula	Name
1	CH6ClN	methylammonium chloride
2	CH6BrN	methylammonium bromide
3	CH6IN	methylammonium iodide
4	Cl2Pb	lead(2+) dichloride
5	Br2Pb	lead(II) bromide
6	I2Pb	lead(2+) diiodide
7	CH6Cl3NPb	methylammonium trichloroplumbate
8	CH6Br3NPb	methylammonium tribromoplumbate
9	CH6I3NPb	methylammonium triiodoplumbate
10	C2H6OS	dimethyl sulfoxide

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Phase	Method	#Points
POMD	7	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	X-ray diffraction	1
POMD	8	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	X-ray diffraction	1
POMD	9	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	X-ray diffraction	1
POMD	4 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 4; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	1 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 1; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	7 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 7; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	5 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 5; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	2 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 2; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	8 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 8; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	6 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 6; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	3 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 3; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1
POMD	9 10	Molar enthalpy of solution, kJ/mol ; Liquid	Mole fraction - 9; Liquid Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Calvet calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics of formation of hybrid perovskite-type methylammonium lead halides

Ivanov, I.L., Steparuk, A.S., Bolyachkina, M.S., Tsvetkov, D.S., Safronov, A.P., Zuev, A.Yu.

ABSTRACT