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Molecular Orbital Tuning of Pentacene-Based Organic Semiconductors through -Ethynylation of Dihydrodiazapentacene.
J Am Chem Soc
January 2025
Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong, China.
This study explores the concept of molecular orbital tuning for organic semiconductors through the use of '-diethynylated derivatives of 6,13-dihydro-6,13-diazapentacene ( and ). These novel molecules maintain the same molecular geometry and π-π stacking as their parent pentacene derivatives ( and ), as confirmed by X-ray crystallography. However, they exhibit altered frontier molecular orbitals in terms of the phase, nodal properties, and energy levels.
View Article and Find Full Text PDFEnhancing efficiency and stability in perovskite solar cells: innovations in self-assembled monolayers.
Front Chem
January 2025
Key laboratory of Rubber-Plastic of Ministry of Education /Shandong Province (QUST), School of Polymer Science and Engineering, Qingdao University of Science and Technology, Qingdao, China.
Perovskite solar cells (PVSCs) show remarkable potential due to their high-power conversion efficiencies and scalability. However, challenges related to stability and long-term performance remain significant. Self-assembled monolayers (SAMs) have emerged as a crucial solution, enhancing interfacial properties, facilitating hole extraction, and minimizing non-radiative recombination.
View Article and Find Full Text PDFPhotothermally Cross-Linkable Polymeric Hole Transport Material Functionalized with Azide for High-Performance Quantum Dot Light-Emitting Diodes.
ACS Appl Mater Interfaces
January 2025
Department of Energy Science & Engineering, Daegu Gyeongbuk Institute of Science and Technology (DGIST), 333, Techno Jungang Daero, Hyeonpung-Eup, Dalseong-Gun, Daegu 42988, Republic of Korea.
Poly[(9,9-dioctylfluorenyl-2,7-diyl)--(4,4'-(-(4-butylphenyl)))] (TFB) is a widely used hole transport material (HTM) in quantum dot light-emitting diodes (QLEDs). However, TFB-based solution-processed QLEDs face several challenges, including interlayer erosion, low hole mobility, shallow energy level of the highest occupied molecular orbital, and current leakage, which compromise the device efficiency and stability. To overcome these challenges, bromine and azide-based photothermally cross-linkable TFB derivatives, i.
View Article and Find Full Text PDFModification at ITO/NiO Interface with MoS Enables Hole Transport for Efficient and Stable Inverted Perovskite Solar Cells.
ChemSusChem
January 2025
Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, P.R. China.
Inverted perovskite solar cells (IPSCs) utilizing nickel oxide (NiO) as hole transport material have made great progress, driven by improvements in materials and interface engineering. However, challenges remain due to the low intrinsic conductivity of NiO and inefficient hole transport. In this study, we introduced MoS nanoparticles at the indium tin oxide (ITO) /NiO interface to enhance the ITO surface and optimize the deposition of NiO, resulting in increased conductivity linked to a ratio of Ni:Ni.
View Article and Find Full Text PDFPhotogenerated charge carrier dynamics on Pt-loaded SrTiO nanoparticles studied transient-absorption spectroscopy.
Nanoscale
January 2025
Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.
Loading cocatalysts on semiconductor-based photocatalysts to create active reaction sites is a preferable method to enhance photocatalytic activity and a widely adopted strategy to achieve effective photocatalytic applications. Although theoretical calculations suggest that the broad density of states of noble metal cocatalysts, such as Pt, act as a recombination center, this has never been experimentally demonstrated. Herein, we employed pico-nano and nano-micro second transient absorption spectroscopy to investigate the often overlooked photogenerated holes, instead of the widely studied electrons on Pt- and Ni-loaded SrTiO to evaluate the effects of cocatalysts as a recombination center.
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