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Synthèse et modélisation quantique de pérovskite à base de stannate substituée par des métalloïdes

Abstract : Transparent conductive oxides (TCO) are one of the main components of current optoelectronic devices such as light-emitting diodes, flat screens, touch screens and photovoltaic devices. They constitute an unusual class of materials combining two antithetic physical properties, high optical transparency in the ultraviolet-visible region (E_g> 3 eV) and high electrical conductivity, which can reach 〖10〗^4 S.〖cm〗^(-1). The uniqueness of these materials as well as the diversity of their applications motivate researchers, experimenters and theorists, to design new efficient ones. Nowadays, n-type TCOs are the subject of a rich literature while it is not the case of the p-type TCOs. A reason could be found in the localized nature of the O(2p) states. The absence of this kind of material hinders the development of transparent p-n junction.The goal of this thesis is to develop a new p-type perovskite Sr〖Sn〗_(1-x) M_x O_3 substituted by metalloids such as Al, Ga and In with a high-performance transparent conductive properties. Our methodology was to correlate an experimental study of synthesis and characterization to a theoretical investigation of structural, electronic and thermodynamic properties based on density functional theory (DFT). This approach allowed us to evaluate the performance of our materials according to the nature of the metalloid and its ratio so that, in fine, we will be able to guide the synthesis towards more efficient materials.Keywords: transparent conducting oxide, p-type TCO, perovskiteSr〖Sn〗_(1-x) M_x O_3, metalloids, Sol gel and solid-state reaction synthesis, DFT.
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Submitted on : Tuesday, September 14, 2021 - 11:27:10 AM
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Leila Ben Amor. Synthèse et modélisation quantique de pérovskite à base de stannate substituée par des métalloïdes. Autre. Université Montpellier; Université de Tunis El Manar, 2020. Français. ⟨NNT : 2020MONTS113⟩. ⟨tel-03343538⟩

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