A Numerical Simulation Study of the Impact of Kesterites Hole Transport Materials in Quantum Dot-Sensitized Solar Cells Using SCAPS-1D DOI Creative Commons

Sindisiwe Jakalase,

Azile Nqombolo, Edson L. Meyer

et al.

Nanomaterials, Journal Year: 2024, Volume and Issue: 14(24), P. 2016 - 2016

Published: Dec. 15, 2024

Energy generation and storage are critical challenges for developing economies due to rising populations limited access clean energy resources. Fossil fuels, commonly used production, costly contribute environmental pollution through greenhouse gas emissions. Quantum dot-sensitized solar cells (QDSSCs) offer a promising alternative their stability, low cost, high-power conversion efficiency (PCE) compared other third-generation cells. Kesterite materials, known excellent optoelectronic properties chemical have gained attention potential as hole transport layer (HTL) materials in In this study, the SCAPS-1D numerical simulator was analyze cell with configuration FTO/TiO2/MoS2/HTL/Ag. The electron (ETL) titanium dioxide (TiO2), while Cu2FeSnS4 (CFTS), Cu2ZnSnS4 (CZTSe), Cu2NiSnS4 (CNTS), Cu2ZnSnSe4 (CZTSSe) kesterite were evaluated HTLs. MoS2 quantum dot served absorber, FTO anode silver back metal contact. CFTS material outperformed others, yielding PCE of 25.86%, fill factor (FF) 38.79%, short-circuit current density (JSC) 34.52 mA cm−2, an open-circuit voltage (VOC) 1.93 V. This study contributes advancement high-performance QDSSCs.

Language: Английский

Turning on Singlet Oxygen Generation by Outer‐Sphere Microenvironment Modulation in Porphyrinic Covalent Organic Frameworks for Photocatalytic Oxidation DOI
Suleman Suleman, Yi Zhang, Yunyang Qian

et al.

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 63(2)

Published: Nov. 29, 2023

Singlet oxygen (

Language: Английский

Citations

82

A corrole-based derivative as an ultra-fast response and high selective fluorescent probe for Mg2+ and its application DOI
Guifen Lu,

Luyao Duan,

Ting Dong

et al.

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Journal Year: 2025, Volume and Issue: 330, P. 125744 - 125744

Published: Jan. 13, 2025

Language: Английский

Citations

1

Cobalt corroles: Synthesis and applications DOI

Jyoti,

Jongkeol An, Donghyeon Kim

et al.

Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 511, P. 215869 - 215869

Published: April 18, 2024

Language: Английский

Citations

8

Tuning Optical Properties of Organic Thin Films through Intermolecular Interactions ‐ Fundamentals, Advances and Strategies DOI Creative Commons
Sarah Jasmin Finkelmeyer, Martin Presselt

Chemistry - A European Journal, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 20, 2025

In applications ranging from photon-energy conversion into electrical or chemical forms (such as photovoltaics photocatalysis) to numerous sensor technologies based on organic solids, the role of supramolecular structures and chromophore interactions is crucial. This review comprehensively examines critical intermolecular between dyes their impact optical properties. We explore range changes in absorption emission properties observed molecular aggregates compared single molecules. Each effect dissected reveal its physicochemical foundations, relevance different application domains, documented examples literature that illustrate potential modulation by structural adjustments. work aims serve a concise guide for exploiting phenomena innovation novel optoelectronic materials, with emphasis strategic exploitation.

Language: Английский

Citations

0

Numerical Simulation and Hole Transport Layers Optimization of a Lead Sulfide-Based Solar Cell with a Power Conversion Efficiency of Above 22% DOI Open Access
Edson L. Meyer,

Inam Vulindlela,

Athandwe M. Paca

et al.

Coatings, Journal Year: 2025, Volume and Issue: 15(3), P. 255 - 255

Published: Feb. 20, 2025

Recently, the numerical simulation of solar cells has attracted tantamount scientific attention in photovoltaic community because it saves on research time and resources before actual fabrication devices laboratories. Despite significant advancements quantum dot-sensitized (QDSSCs), power conversion efficiency (PCE) is still low when compared to other such as perovskite. This gap poses a substantial challenge harnessing full potential QDSSCs for widespread adoption renewable energy applications. Enhancing imperative their commercial viability deployment. In this work, SCAPS-1D was used QDSSCs. The cell with general configuration FTO/TiO2/PbS/HTL/Au investigated. device, PbS dots were inserted absorber layer, TiO2 electron transport layer (ETL), gold back contact, following inorganic materials, i.e., copper (I) iodide (CuI), oxide (Cu2O), cadmium zinc telluride selenide (CZTSe), iron tin sulfide (CFTS), (CZTSSe) tested HTL FTO acted conductive substrate. best material exhibited PCE 22.61%, fill factor (FF) 84.67%, an open circuit voltage (Voc) 0.753 V, current density (Jsc) 35.48 mA cm−2. study contributes field by employing simulations optimize QDSSCs, exploring novel materials these identifying CZTSSe promising low-cost that significantly enhances both performance

Language: Английский

Citations

0

A Universal Approach to Anchoring Chromophores onto Magnetic Scaffold for Achieving Easily Recyclable Heterogeneous Photocatalytic Systems DOI Creative Commons
Xuan Zhan, Yikun Wang, Chenyang Sun

et al.

Advanced Science, Journal Year: 2025, Volume and Issue: unknown

Published: March 26, 2025

Photocatalysis based on chromophores such as porphyrin, coumarin, anthraquinone, and pyrene is a promising technology to achieve green synthesis of various high-value chemicals, but the robust non-covalent immobilization onto light-inert scaffolds for industrialization-oriented heterogeneous photocatalysis remains challenging. In this work, simple universal strategy presented preparing highly efficient recyclable photocatalysts from chromophores, which achieved via biotinylation chromophore molecules subsequent supramolecular binding chromophore-biotin dyads streptavidin-decorated magnetic beads. As an example, commercial beads modified by 5,10,15,20-tetrakis(4-aminophenyl) porphyrin not only possessed remarkable photocatalytic activities oxidative coupling benzylamine derivatives oxidation thioanisole with highest product yields beyond 95% turnover numbers approaching 10000, driven photogenerated reactive oxygen species also demonstrated impressive chemical stability recyclability separation during 10 successive test cycles. The findings revealed in work pave way advancing valuable organic compounds pharmaceutical industry, agricultural sector, etc., rationally designed systems.

Language: Английский

Citations

0

Comparison of the adsorption behavior of melphalan anti-cancer drug on MgS nano-cage: A DFT study DOI Creative Commons

Shahnaz Azari Gharelar,

Shiva Masoudi, Nasrin Masnabadi

et al.

Results in Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 102273 - 102273

Published: April 1, 2025

Language: Английский

Citations

0

Synthesis and Regioselective Functionalization of Tetrafluorobenzo-[α]-Fused BOPYPY Dyes DOI Creative Commons
Sebastian O. Oloo, Guanyu Zhang, Petia Bobadova‐Parvanova

et al.

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(20), P. 9164 - 9174

Published: May 8, 2024

The synthesis of a new bis-BF2 tetrafluorobenzo-[α]-fused BOPYPY dye from 4,5,6,7-tetrafluoroisoindole and 2-hydrazinopyrazine is reported. regioselectivity nucleophilic substitution reactions at the periphery tetrafluorinated its α-bromo derivative were investigated using N-, O-, S-, C-based nucleophiles. Among aromatic fluorine atoms, F2 atom consistently regioselectively substituted, except when α-position contains thiophenol group; in this case, F4 substituted instead due to stabilizing π–π-stacking between two groups. also reacts under Stille cross-coupling reaction conditions produce corresponding α-substituted product. spectroscopic properties these fluorinated BOPYPYs compared with nonfluorinated analogs.

Language: Английский

Citations

2

Structurally influenced optical nonlinearities and ultrafast dynamics in β-acroleyl- and β-dicyanobutadienyl-appended cobalt corroles DOI
Inderpal Yadav, Jitendra Nath Acharyya, G. Vijaya Prakash

et al.

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: 26(21), P. 15125 - 15129

Published: Jan. 1, 2024

The strong two-photon induced nonlinear absorption and self-focusing type positive refraction are pronounced by the structural engineering in β-functionalized cobalt corroles.

Language: Английский

Citations

2

Corrole–Chelated phosphorus complex Enabling dual C–H chlorination and H₂O₂ generation DOI Creative Commons
Xuan Zhan, Donghyeon Kim, Zakir Ullah

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 413, P. 125938 - 125938

Published: Sept. 6, 2024

Language: Английский

Citations

2