Investigation of thermal control in phase-changing ABO₃ perovskites via first-principles predictions: general mechanism of emittance

Abstract

Phase-change thermal control has recently seen increased interest due to its significant potential for use in smart windows, building insulation, and optoelectronic devices in spacecraft. Tunable variation in infrared emittance...

Investigation of thermal control in phase-changing ABO3 perovskites via first-principles predictions: general mechanism of solar absorptivity

“…The IR emittance has been in our previous work. 32 Fig. 7 displays the α S /ε of NaNbO 3 , MnTiO 3 , PrNbO 3 , EuTiO 3 , LaCuO 3 , AgNbO 3 , AgTaO 3 , YCrO 3 , YFeO 3 , YTiO 3 , YCoO 3 , YVO 3 , FeSnO 3 , MnSnO 3 , TiSnO 3 , VSnO 3 , NiSnO 3 perovskites, which exhibit a high α S / ε at low temperatures and a low α S / ε at high temperatures.…”

“…In general, perovskites have band insulators (AgNbO 3 , BaTiO 3 , KTaO 3 , CdSnO 3 , ZnSnO 3 , SrZrO 3 , LaGaO 3 , and BaPbO 3 ), metalinsulator transitions (CeNiO 3 , TmNiO 3 , PrNiO 3 , and SmNiO 3 ), Mott insulators (BaFeO 3 , LaFeO 3 , LaCoO 3 , CoSnO 3 , MnTiO 3 , and YCO 3 ), metals (LaNiO 3 and SrRuO 3 ), and semi-metals (VScO 3 , CrScO 3 , MnScO 3 , FeScO 3 , CoScO 3 , NiScO 3 , CuScO 3 , ZnScO 3 , and CaIrO 3 ). 32,34,35 However, the semi-metals always exhibit a negative bandgap and bigger refractive index, due to their metal behaviour characteristics in spin up or spin down. Their optical absorption also strongly depends on magnetism and is largely independent of the band gap.…”

CuI/BaSnO3 Quantum Dot/ZnSnO3 Perovskite-based Transparent p–n Junction for Photovoltaic Enhancement

“…The bandgaps were 3.000 (CuI), 3.786 (BaSnO 3 QD), and 3.961 eV (ZnSnO 3 ) (Figure b). Therefore, the transparency of the fabricated device primarily depended on CuI with a narrower bandgap at ∼410 nm. ,− , The introduction of BaSnO 3 QD slightly reduces transparency but helps in achieving a balance between solar efficiency, carrier injection, and potential transitions. , Notably, the slight decrease in transparency resulted in a photovoltaic enhancement of 10 3 magnitudes, indicating that the regulation of carrier behavior in perovskite BaSnO 3 QD plays a crucial role in improving performance beyond simple absorption enhancement.…”

“…For all these reasons, the wide bandgap of transparent devices remains a major constraint for achieving high photovoltaic conversion, primarily due to decreased carrier transport caused by excessive potential barriers. − Therefore, an easy and efficient modification approach is needed, such as metal/nonmetal doping, surface/interface microstructural modification, or other modifications. − For instance, Xu et al improved light life and carrier mobility through chlorine solubility, allowing for bandgap and stability adjustment . Among these approaches, interface quantum dot’s (QD) modification has gained attention due to its adjustable potential structure to match various p–n junction gradients and high quantum yield (QY) to increase carrier concentration. , Zhang et al used CsPbBr 3 /CsPbCl 3 QD to reduce energy loss at the double interface, as the QD’s interface layer improves film quality, energy structure, and charge transfer path .…”

Modeling of the oxygen defect formation in YCrO3

“…According to literature [52], perovskite YCrO 3 is known as a direct band gap semiconductor. In line with this characteristic, the band gap was determined using the Tauc method by plotting the dependence:…”