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    Item type:Publication,
    Enhancing Perovskite Thin Films with Butylammonium Iodide-Lead-Tetrahydrofuran: Surface Healing and 2D Formation in Annealing-Free Single-Crystal Films for Solar Cell Applications
    (2024-04-01)
    Azad, Farhad
    ;
    Supasai, Thidarat
    ;
    Yaro, Annafi Ado
    ;
    Soe, Kay Thi
    ;
    Thongprong, Non
    We demonstrate a functional method to achieve surface passivation and construct a two-dimensional (2D) layer on a three-dimensional (3D) perovskite, eliminating the need for subsequent annealing steps. A key process is the integration of a single methylammonium lead iodide (MAPbI<inf>3</inf>) crystal with butylammonium iodide (BAI) in tetrahydrofuran. Density functional theory calculations reveal that the synergy between BA<sup>+</sup> cations and Pb-I octahedral structures enables the formation of a distinct 2D layered framework. MA<sup>+</sup> and BA<sup>+</sup> exhibit adsorption energies of −5.519 and −5.925 eV, respectively, at MA vacancies on the perovskite surface. This finding indicates that BAI passivation induces surface-healing effects, increasing surface and device stability. The I<sup>-</sup> components of BAI also replace imperfections at the perovskite interface, affording considerably reduced deep-level anomalies and mitigating nonradiative recombination. This theoretical perspective is supported experimentally via X-ray photoelectron spectroscopy and glow discharge optical emission spectroscopy. BAI passivation and 2D-BA<inf>2</inf>PbI<inf>4</inf> capping lowers work functions for 3D perovskite surfaces, registering at approximately 0.158 and 0.173 eV, respectively, which are lower than those of the control 3D film. Within the 2D/3D perovskite configuration, 2D-BA<inf>2</inf>PbI<inf>4</inf> capping considerably increases the open-circuit voltage in solar cells. In comparison, devices with BAI-enhanced interfaces show improved durability with promise for solar cell applications.
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    Item type:Publication,
    Cesium Moderation and Structural Transformation on α-CsPbI2Br Perovskite Durability via Cation Retarding Migration: A Combined Simulation and Experimental Study
    (2025-03-01)
    Henjongchom, Nakorn
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    Ruengsrisang, Waranchit
    ;
    Soe, Kay Thi
    ;
    ;
    Thongprong, Non
    Preliminary density functional theory studies suggest that cesium-ion (Cs<sup>+</sup>) migration possesses a low energy barrier at defective surfaces, which potentially induces lattice distortion of α-CsPbI<inf>2</inf>Br perovskites. Herein, we introduced surface design via mixed-cation and mixed-halide methods to enhance the durability and functionality of all-inorganic CsPbI<inf>2</inf>Br solar cells. The adsorption and adhesion energies indicate that formamidinium bromide (FABr) passivation creates a nonbonding surface with resistance to water molecules and induces lattice reconstruction at the surface into a cubic-like structure. Experimental validation in solar cell applications reveals that nonencapsulated formamidinium bromide − based devices can retain 84 % of the initial efficiency (13.29 %) after 336 h of use with 40 %–43 % of relative humidity, outperforming the reference cell that retained 20 % of the original efficiency (10.31 %) after 144 h. This findings highlight the dual role of FABr passivation in stabilizing the surface and reorganizing the lattice structure, contributing to significantly enhanced durability and performance CsPbI<inf>2</inf>Br solar cells.