Influence of transition metal substitution on Cs2AgBiBr6/M3C2 (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) interfaces: First-principles and experimental studies

Adhesion, stability, structural and electronic properties of perovskite/BaWO4 heterostructures: first-principles and experimental characterizations

“…The formation of all eight observed interfacial configurations is facilitated by the positive adhesion work. The perovskite/BaWO 4 interface exhibits larger W ad values when compared to the weak perovskite/MXene system, 30 while exhibiting equivalent W ad values to the strong perovskite/Ga 2 O 3 system, 31 thereby suggesting a high degree of interface stability. Among them, the MAPbBr 3 /BaWO 4 interface exhibits larger W ad values, ranging from 0.014 to 0.052 eV Å −2 , when compared to those of the CsPbBr 3 /BaWO 4 interface, which span from 0.008 to 0.035 eV Å −2 .…”

“…Systematic and comparative investigations of the interfacial systems are therefore of great interest. 29–33 In this study, we utilize the first-principles approach to explore the heterostructures of CsPbBr 3 /BaWO 4 and MAPbBr 3 /BaWO 4 . Moreover, the composition and morphological characteristics were further verified by microscopic and spectroscopic tools.…”

Tunable Photoluminescent Nitrogen-Doped Graphene Quantum Dots at the Interface for High-Efficiency Perovskite Solar Cells

“…As is well known, polycrystalline perovskite films are typically prepared via solution processing methods, which inevitably introduce defects such as uncoordinated Pb 2+ and halide ion (I – ) vacancies at the grain boundaries and interfaces between the perovskite layer and the electron-transporting layer (ETL). , Numerous studies have engaged to improve the crystallinity and morphology of the perovskite films and passivate defects on the surface or at the interface via various strategies, including additive implementation, , antisolvent engineering, − and interface adjustment. ,− Particularly, interfacial engineering with functional semiconductors has been proved to be an effective approach for enhancing the PSCs’ photovoltaic properties along with facilitating the transportation of the charges, reducing defect density, and suppressing the recombination of the carriers, thereby promoting the crystal growth of the perovskite film and improving the photovoltaic performance of the solar cells. − Among them, nanomaterial nitrogen-doped graphene quantum dots (N-GQDs) can act as an effective interface modulation reagent for efficient PSCs, which is utilized to ameliorate the following perovskite film quality and facilitate charge-transfer kinetics as well. Bian et al embedded N-GQDs on the surface of γ-CsPbI 3 -based PSCs.…”

Synthesizing crystalline g-C3N4 for enhanced photocatalytic hydrogen evolution under visible light

“…The photocurrent density of HPCN is notably greater than that of UCN, indicating that the obstacles encountered during the electron migration in HPCN are smaller due to its lower impedance value, 21 demonstrating that high crystallinity HPCN not only possesses enhanced light absorption capability and increased generation of photocarriers, but also exhibits much higher separation and transfer rates of photoinduced carriers compared to traditional calcination-formed UCN. 22 Consequently, these advantages endow the high crystallinity HPCN photocatalyst with exceptional performance for photocatalytic hydrogen evolution from water splitting.…”