TY - JOUR
T1 - Thermodynamic Studies of Bromide Incorporation into Cesium Lead Iodide (CsPbI3)
AU - Wang, Bin
AU - Navrotsky, Alexandra
N1 - Funding Information:
This work was supported by the U.S. Department of Energy Office of Basic Energy Science, Grant DE-FG02-03ER46053. We thank Shuhao Yang for assistance in experiments and helpful discussions.
Publisher Copyright:
© 2020 American Chemical Society.
PY - 2020/4/23
Y1 - 2020/4/23
N2 - Cesium lead iodide bromide (CsPbI2Br) has attracted significant research attention as one of emerging inorganic halide perovskite materials for photovoltaic applications. However, thermodynamic properties that govern its intrinsic stability remain unclear. Using room temperature solution calorimetry in DMSO and differential scanning calorimetry, we herein report the formation enthalpy of orthorhombic CsPbI2Br. We confirm that milder conditions, especially lower temperature, are needed for perovskite phase stabilization in CsPbI2Br. The formation of solid CsPbI2Br from CsPbI3 and CsPbBr3 is enthalpically neutral but is favored by entropy since the anions are probably randomly mixed, thus making the Gibbs free energy of mixing negative. This study sheds light on phase stabilization, materials stability, and anion mixing within halide perovskites and related systems.
AB - Cesium lead iodide bromide (CsPbI2Br) has attracted significant research attention as one of emerging inorganic halide perovskite materials for photovoltaic applications. However, thermodynamic properties that govern its intrinsic stability remain unclear. Using room temperature solution calorimetry in DMSO and differential scanning calorimetry, we herein report the formation enthalpy of orthorhombic CsPbI2Br. We confirm that milder conditions, especially lower temperature, are needed for perovskite phase stabilization in CsPbI2Br. The formation of solid CsPbI2Br from CsPbI3 and CsPbBr3 is enthalpically neutral but is favored by entropy since the anions are probably randomly mixed, thus making the Gibbs free energy of mixing negative. This study sheds light on phase stabilization, materials stability, and anion mixing within halide perovskites and related systems.
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U2 - 10.1021/acs.jpcc.0c01610
DO - 10.1021/acs.jpcc.0c01610
M3 - Article
AN - SCOPUS:85085269510
SN - 1932-7447
VL - 124
SP - 8639
EP - 8642
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 16
ER -