We have here performed a campaign of first-principles calculations comparing the effect of confinement in two ABO3-perovskites, SrTiO3 and BaSnO3. The study is motivated by the quest of novel materials for daytime radiative cooling devices, a recently suggested mechanism to passively cool down the temperature of sky facing objects (mainly buildings and constructions). In particular, after assessing the computational setup for the calculation of our structures, we have similarly calculated the bandstructure of 3D, 2D, and 0D systems. We both employed standard density functional theory and meta-GGA methods to do it and discussed pros and cons of the two approaches. Finally, we discuss the possible applicability of 0D species as materials for radiative cooling as function of a large and direct bandgap.
Quantum Confinement Effects in Materials for Daytime Radiative Cooling: An Ab-initio Investigation
Borghesi C.;Fabiani C.;Pisello A. L.;Giorgi G.
2022
Abstract
We have here performed a campaign of first-principles calculations comparing the effect of confinement in two ABO3-perovskites, SrTiO3 and BaSnO3. The study is motivated by the quest of novel materials for daytime radiative cooling devices, a recently suggested mechanism to passively cool down the temperature of sky facing objects (mainly buildings and constructions). In particular, after assessing the computational setup for the calculation of our structures, we have similarly calculated the bandstructure of 3D, 2D, and 0D systems. We both employed standard density functional theory and meta-GGA methods to do it and discussed pros and cons of the two approaches. Finally, we discuss the possible applicability of 0D species as materials for radiative cooling as function of a large and direct bandgap.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
