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Quantum Confinement Effects in Materials for Daytime Radiative Cooling: An Ab-initio Investigation

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Computational Science and Its Applications – ICCSA 2022 Workshops (ICCSA 2022)

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Abstract

We have here performed a campaign of first-principles calculations comparing the effect of confinement in two \(\text {ABO}_{3}\)-perovskites, \(\text {SrTiO}_{3}\) and \(\text {BaSnO}_{3}\). 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.

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Acknowledgments

The authors thank the ERC Stg Project HELIOS (GA 101041255, PI dr. A.L. Pisello) funded by the European Union. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or the European Research Council. Neither the European Union nor the granting authority can be held responsible for them. G.G. and C.B. acknowledge ISCRA B, and C initiatives for awarding access to computing resources on m100 at CINECA SuperComputer Center, Italy. G.G. thanks the Dipartimento di Ingegneria Civile e Ambientale of the University of Perugia for allocated computing time within the project “Dipartimenti di Eccellenza 2018–2022”. Authors are similarly grateful to Prof. L. Latterini (Dept of Chemistry, Biology and Biotechnology, Perugia University) for the very fruitful scientific discussions.

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Authors and Affiliations

  1. Department of Civil and Environmental Engineering (DICA), Università degli Studi di Perugia, Via G. Duranti 93, 06125, Perugia, Italy

    Costanza Borghesi & Giacomo Giorgi

  2. Department of Engineering, Università degli Studi di Perugia, Via G. Duranti 93, 06125, Perugia, Italy

    Claudia Fabiani & Anna Laura Pisello

  3. CIRIAF - Interuniversity Research Centre, University of Perugia, Perugia, Italy

    Claudia Fabiani, Anna Laura Pisello & Giacomo Giorgi

  4. CNR-SCITEC, 06123, Perugia, Italy

    Giacomo Giorgi

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  1. Costanza Borghesi
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  4. Giacomo Giorgi
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Correspondence to Giacomo Giorgi .

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Editors and Affiliations

  1. University of Perugia, Perugia, Italy

    Osvaldo Gervasi

  2. University of Basilicata, Potenza, Potenza, Italy

    Beniamino Murgante

  3. Østfold University College, Halden, Norway

    Sanjay Misra

  4. University of Minho, Braga, Portugal

    Ana Maria A. C. Rocha

  5. University of Cagliari, Cagliari, Italy

    Chiara Garau

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Borghesi, C., Fabiani, C., Pisello, A.L., Giorgi, G. (2022). Quantum Confinement Effects in Materials for Daytime Radiative Cooling: An Ab-initio Investigation. In: Gervasi, O., Murgante, B., Misra, S., Rocha, A.M.A.C., Garau, C. (eds) Computational Science and Its Applications – ICCSA 2022 Workshops. ICCSA 2022. Lecture Notes in Computer Science, vol 13382. Springer, Cham. https://doi.org/10.1007/978-3-031-10592-0_23

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