Tailoring Interface via Tuning the Phase and Morphology of TiO for Efficient Mesoporous Perovskite Solar Cells.

The efficiency of mesoporous perovskite solar cells (mp-PSCs) is significantly influenced by favorable charge transport properties across their various interfaces. The interfaces involving compact-TiO, mesoporous electron transport layer (ETL), and perovskite layer are particularly vital for high-performing devices. Our study presents a combined experimental and computational approach, specifically employing density functional theory, to explore the impact of mesoporous-ETL/perovskite interface properties on carrier transport.

Lead-Free CsAgBiCl Double Perovskite: Experimental and Theoretical Insights into the Self-Trapping for Optoelectronic Applications.

Lead-free double perovskites (DPs) will emerge as viable and environmentally safe substitutes for Pb-halide perovskites, demonstrating stability and nontoxicity if their optoelectronic property is greatly improved. Doping has been experimentally validated as a powerful tool for enhancing optoelectronic properties and concurrently reducing the defect state density in DP materials. Fundamental understanding of the optical properties of DPs, particularly the self-trapped exciton (STEs) dynamics, plays a critical role in a range of optoelectronic applications.

Charge Carrier Dynamics in Bandgap Modulated Covellite-CuS Nanostructures.

Copper Sulfide (CuS) semiconductors have garnered interest, but the effect of transition metal doping on charge carrier kinetics and bandgap remains unclear. In this study, the interactions between dopant atoms (Nickel, Cobalt, and Manganese) and the CuS lattice using spectroscopy and electrochemical analysis are explored. The findings show that sp-d exchange interactions between band electrons and the dopant ions, which replace Cu, are key to altering the material's properties.

Interface-Centric Strategies in Kesterite Solar Cells: Addressing Challenges, Solutions, and Future Directions for Efficient Solar-Harvesting Technologies.

As reserves of non-renewable energy sources decline, the search for sustainable alternatives becomes increasingly critical. Next-generation energy materials play a key role in this quest by enabling the manipulation of properties for effective energy solutions and understanding interfaces to enhance energy yield. Studying these interfaces is essential for managing charge transport in optoelectronic devices, yet it presents significant challenges.

Unravelling Structural, Optical, and Band Alignment Properties of Mixed Pb-Sn Metal-Halide Quasi-2D Ruddlesden-Popper Perovskites.

Lead-tin (Pb-Sn) mixed-halide perovskites show potential for single-junction and tandem solar cells due to their adjustable band gaps, flexible composition, and superior environmental stability compared to three-dimensional (3D) perovskites. However, they have lower power conversion efficiencies. Understanding band alignment and charge carrier dynamics is essential for enhancing photovoltaic performance.

Novel Au/CuNiSnS Nano-Heterostructure: Synthesis, Structure, Heterojunction Band Offset and Alignment, and Interfacial Charge Transfer Dynamics.

Considering the importance of physics and chemistry at material interfaces, we have explored the coupling of multinary chalcogenide semiconductor CuNiSnS nanoparticles (CNTS NPs) for the first time with the noble metal (Au) to form Au-CNTS nano-heterostructures (NHSs). The Au-CNTS NHSs is synthesized by a simple facile hot injection method. Synergistic experimental and theoretical approaches are employed to characterize the structural, optical, and electrical properties of the Au-CNTS NHSs.

Fabrication of ZnO Scaffolded CdS Nanostructured Photoanodes with Enhanced Photoelectrochemical Water Splitting Activity under Visible Light.

CdS, characterized by its comparatively narrow energy band gap (∼2.4 eV), is an appropriate material for prospective use as a photoanode in photoelectrochemical water splitting. Regrettably, it encounters several obstacles for practical and large-scale applications, including issues such as bulk carrier recombination and diminished conductivity.

Unraveling Interface-Driven and Loss Mechanism-Centric Phenomena in 3D/2D Halide Perovskites: Prospects for Optoelectronic Applications.

In recent years, organic-inorganic metal halide perovskite solar cells (PSCs) have attracted considerable interest due to their remarkable and rapidly advancing efficiencies. Over the past decade, PSC efficiencies have significantly approached those of state-of-the-art silicon-based photovoltaics, making them a promising material. Currently, the scientific community widely recognizes the performance of 3D-PSCs and 2D-PSCs individually.

Interfacial band offset engineering with barium-doping towards enhanced performance of all inorganic CsPbIBr perovskite solar cells.

This study investigates the incorporation of Ba at a low concentration into CsPbIBr, resulting in the formation of mixed CsPbBaIBr perovskite films. Photovoltaic devices utilizing these Ba-doped CsPbIBr (Ba-CsPbIBr) perovskite films achieved a higher stabilized power conversion efficiency of 14.07% compared to 11.

Regulated electrochemical performance of manganese oxide cathode for potassium-ion batteries: A combined experimental and first-principles density functional theory (DFT) investigation.

Potassium-ion batteries (KIBs) are promising energy storage devices owing to their low cost, environmental-friendly, and excellent K diffusion properties as a consequence of the small Stoke's radius. The evaluation of cathode materials for KIBs, which are perhaps the most favorable substitutes to lithium-ion batteries, is of exceptional importance. Manganese dioxide (α-MnO) is distinguished by its tunnel structures and plenty of electroactive sites, which can host cations without causing fundamental structural breakdown.

Improved photocatalytic activity of TiO nanoparticles through nitrogen and phosphorus co-doped carbon quantum dots: an experimental and theoretical study.

In this work, we develop a photocatalyst wherein nitrogen and phosphorus co-doped carbon quantum dots are scaffolded onto TiO nanoparticles (NPCQD/TiO), denoted as NPCT hereafter. The developed NPCT photocatalyst exhibits an enhanced visible light photocatalytic hydrogen production of 533 μmol h g compared to nitrogen doped CQD/TiO (478 μmol h g), phosphorus doped CQD/TiO (451 μmol h g) and pure CQD/TiO (427 μmol h g) photocatalysts. The enhanced photocatalytic activity of the NPCT photocatalyst is attributed to the excellent synergy between NPCQDs and TiO nanoparticles, which results in the creation of virtual energy levels, a decrease in work function and suppressed recombination rates, thereby increasing the lifetime of photogenerated electrons.

Terbium-Doped and Dual-Passivated γ-CsPb(I Br ) Inorganic Perovskite Solar Cells with Improved Air Thermal Stability and High Efficiency.

Realizing photoactive and thermodynamically stable all-inorganic perovskite solar cells (PSCs) remains a challenging task within halide perovskite photovoltaic (PV) research. Here, a dual strategy for realizing efficient inorganic mixed halide perovskite PV devices based on a terbium-doped solar absorber, that is, CsPb Tb I Br, is reported, which undertakes a bulk and surface passivation treatment in the form of CsPb Tb I Br quantum dots, to maintain a photoactive γ-phase under ambient conditions and with significantly improved operational stability. Devices fabricated from these air-processed perovskite thin films exhibit an air-stable power conversion efficiency (PCE) that reaches 17.

Exploring the emerging applications of the advanced 2-dimensional material borophene with its unique properties.

Borophene, a crystalline allotrope of monolayer boron, with a combination of triangular lattice and hexagonal holes, has stimulated wide interest in 2-dimensional materials and their applications. Although their properties are theoretically confirmed, they are yet to be explored and confirmed experimentally. In this review article, we present advancements in research on borophene, its synthesis, and unique properties, including its advantages for various applications with theoretical predictions.

Enhanced Charge Carrier Separation and Improved Biexciton Yield at the p-n Junction of SnSe/CdSe Heterostructures: A Detailed Electrochemical and Ultrafast Spectroscopic Investigation.

Tin chalcogenides (SnX, X = S, Se)-based heterostructures (HSs) are promising materials for the construction of low-cost optoelectronic devices. Here, we report the synthesis of a SnSe/CdSe HS using the controlled cation exchange reaction. The (400) plane of SnSe and the (111) plane of CdSe confirm the formation of an interface between SnSe and CdSe.

Revealing the electronic structure, heterojunction band offset and alignment of CuZnGeSe: a combined experimental and computational study towards photovoltaic applications.

Cu2ZnGeSe4 (CZGSe) is a promising earth-abundant and non-toxic semiconductor material for large-scale thin-film solar cell applications. Herein, we have employed a joint computational and experimental approach to characterize and assess the structural, optoelectronic, and heterojunction band offset and alignment properties of a CZGSe solar absorber. The CZGSe films were successfully prepared using DC-sputtering and e-beam evaporation systems and confirmed by XRD and Raman spectroscopy analyses.

Ternary CuSnS: Synthesis, Structure, Photoelectrochemical Activity, and Heterojunction Band Offset and Alignment.

Ternary CuSnS (CTS) is an attractive nontoxic and earth-abundant absorber material with suitable optoelectronic properties for cost-effective photoelectrochemical applications. Herein, we report the synthesis of high-quality CTS nanoparticles (NPs) using a low-cost facile hot injection route, which is a very simple and nontoxic synthesis method. The structural, morphological, optoelectronic, and photoelectrochemical (PEC) properties and heterojunction band alignment of the as-synthesized CTS NPs have been systematically characterized using various state-of-the-art experimental techniques and atomistic first-principles density functional theory (DFT) calculations.

Implementing Dopant-Free Hole-Transporting Layers and Metal-Incorporated CsPbIBr for Stable All-Inorganic Perovskite Solar Cells.

Mixed-halide CsPbIBr perovskite is promising for efficient and thermally stable all-inorganic solar cells; however, the use of conventional antisolvent methods and additives-based hole-transporting layers (HTLs) currently hampers progress. Here, we have employed hot-air-assisted perovskite deposition in ambient condition to obtain high-quality photoactive CsPbIBr perovskite films and have extended stable device operation using metal cation doping and dopant-free hole-transporting materials. Density functional theory calculations are used to study the structural and optoelectronic properties of the CsPbIBr perovskite when it is doped with metal cations Eu and In.

High Stability and Long Cycle Life of Rechargeable Sodium-Ion Battery Using Manganese Oxide Cathode: A Combined Density Functional Theory (DFT) and Experimental Study.

Sodium-ion batteries (SIBs) can develop cost-effective and safe energy storage technology for substantial energy storage demands. In this work, we have developed manganese oxide (α-MnO) nanorods for SIB applications. The crystal structure, which is crucial for high-performance energy storage, is examined systematically for the metal oxide cathode.

Experimental and Theoretical Investigation of the Structural and Opto-electronic Properties of Fe-Doped Lead-Free Cs AgBiCl Double Perovskite.

Lead-free double perovskites have emerged as stable and non-toxic alternatives to Pb-halide perovskites. Herein, the synthesis of Fe-doped Cs AgBiCl lead-free double perovskites are reported that display blue emission using an antisolvent method. The crystal structure, morphology, optical properties, band structure, and stability of the Fe-doped double perovskites were investigated systematically.

Experimental and Theoretical Study into Interface Structure and Band Alignment of the CuZn Cd SnS Heterointerface for Photovoltaic Applications.

To improve the constraints of kesterite CuZnSnS (CZTS) solar cell, such as undesirable band alignment at p-n interfaces, bandgap tuning, and fast carrier recombination, cadmium (Cd) is introduced into CZTS nanocrystals forming CuZn Cd SnS through cost-effective solution-based method without postannealing or sulfurization treatments. A synergetic experimental-theoretical approach was employed to characterize and assess the optoelectronic properties of CuZn Cd SnS materials. Tunable direct band gap energy ranging from 1.

Uncovering the origin of enhanced field emission properties of rGO-MnO heterostructures: a synergistic experimental and computational investigation.

The unique structural merits of heterostructured nanomaterials including the electronic interaction, interfacial bonding and synergistic effects make them attractive for fabricating highly efficient optoelectronic devices. Herein, we report the synthesis of MnO nanorods and a rGO/MnO nano-heterostructure using low-cost hydrothermal and modified Hummers' methods, respectively. Detailed characterization and confirmation of the structural and morphological properties are done X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM).

ZnO/CuSCN Nano-Heterostructure as a Highly Efficient Field Emitter: a Combined Experimental and Theoretical Investigation.

We report the synthesis of two-dimensional porous ZnO nanosheets, CuSCN nanocoins, and ZnO/CuSCN nano-heterostructure thin films grown on fluorine-doped tin oxide substrates via two simple and low-cost solution chemical routes, i.e., chemical bath deposition and successive ionic layer adsorption and reaction methods.

Enhanced Field Emission Properties of Au/SnSe Nano-heterostructure: A Combined Experimental and Theoretical Investigation.

We report the field emission properties of two-dimensional SnSe nanosheets (NSs) and Au/SnSe nano-heterostructure (NHS) prepared by a simple and economical route of one-pot colloidal and sputtering technique. Field Emission Scanning Electron Microscope (FESEM) analysis reveal surface protrusions and morphology modification of the SnSe NSs by Au deposition. By decorating the SnSe NSs with Au nanoparticles, significant improvement in field emission characteristics were observed.