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Interfacial and Bulk Properties of Hole Transporting Materials in Perovskite Solar Cells: Spiro-MeTAD versus Spiro-OMeTAD
摘要： Two spiro-MeTAD compounds (1 and 2) were synthesized, characterized by experimental and quantum mechanical methods, and used as hole transporting materials (HTMs) in perovskite solar cells (PSC). The new compounds differ from spiro-OMeTAD only by the presence of methyl substituents as compared to methoxy groups. This modification results in absorption-band blue shift by ~20 nm as compared to spiro-OMeTAD, increased glass transition temperature for 2, and reduced ionization potentials by 0.02-0.12 eV. Hole mobilities larger by five times were obtained for spiro-MeTAD /spiro-MeTAD, which is maintained in the presence of additives. Despite this improvement, J-V measurements in PSCs resulted in power conversion efficiency (PCE) of 17.2% and 17.05% for 1 and 2 HTMs, respectively, as compared to 19.24?% for spiro‐OMeTAD. Photoluminescence measurements of perovskite:HTM layers indicate much stronger quenching in the case of spiro-OMeTAD/spiro-MeTAD. These results point to the dominant importance of the perovskite/HTM interfacial properties as compared to HTM hole-transport properties in the bulk. Given that improved hole-mobility and energy-level alignment are the main targets of the current research efforts in this domain, our results alert on the necessity to give priority to improving perovskite-HTM interaction properties.
关键词： dft,perovskites,energy disorder,solar cells,interaction energy,interfaces
更新于2025-09-23 15:21:01
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A novel protein binding strategy for energy-transfer-based photoelectrochemical detection of enzymatic activity of botulinum neurotoxin A
摘要： In this work, we propose a novel energy-transfer-based photoelectrochemical (PEC) platform for probing of protein-protein interaction, which associates intimately with zinc-dependent cleavage and substrate specificities in the enzymatic activities of botulinum neurotoxin (BoNT). Specifically, by using substrate protein SNAP-25 as the energy-transfer nanoprobe, an exciton-plasmon interaction (EPI) based strategy between CdS quantum dots (QDs) and Au nanoparticles (NPs) in a PEC system is constructed with the photocurrent declining. Interestingly, the EPI effect is then interrupted by the target botulinum neurotoxin serotype A light chain (BoNT-LCA) special cleavage of the probe SNAP-25, leading to the photocurrent recovery. Therefore, the enzymatic activity of BoNT-LCA could be sensitively detected with a detection limit of 1 pg/mL. Unlike conventional DNA-programable assembly, a protein probe is used to bridge the excitons and plasmons in this work, which provides a new route for the investigation of the EPI-based bioassay.
关键词： CdS QDs,Exciton–plasmon interaction,Energy transfer,Botulinum neurotoxin A,Photoelectrochemical detection
更新于2025-09-10 09:29:36
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[IEEE 2018 Conference on Precision Electromagnetic Measurements (CPEM 2018) - Paris, France (2018.7.8-2018.7.13)] 2018 Conference on Precision Electromagnetic Measurements (CPEM 2018) - Nanodot-Molecule Junctions: Assessing Intermolecular Interactions and Electron Transport at Microwave Frequencies
摘要： Here, we present the properties of molecular junctions fabricated on a large array of sub-10 nm single crystal Au nanodot electrodes, each junction being made of less than one hundred molecules. Thanks to this approach, we discuss some pending issues in molecular electronic : (i) the determination of inter-molecular interactions from the conductance histograms of molecular junctions, (ii) the demonstration of molecular electronic devices for high-frequency operation with a molecular diode working in the microwave regime up to 18 GHz.
关键词： Molecular electronics,interaction energy,scanning microwave microscope,microwave,electron transport,conducting-AFM
更新于2025-09-10 09:29:36
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Blocked populations in ring-shaped optical lattices
摘要： We study a special dynamical regime of a Bose-Einstein condensate in a ring-shaped lattice where the populations in each site remain constant during the time evolution. The states in this regime are characterized by equal occupation numbers in alternate wells and nontrivial phases, while the phase differences between neighboring sites evolve in time yielding persistent currents that oscillate around the lattice. We show that the velocity circulation around the ring lattice alternates between two values determined by the number of wells and with a specific time period that is only driven by the on-site interaction energy parameter. In contrast to the self-trapping regime present in optical lattices, the occupation number at each site does not show any oscillation and the particle imbalance does not possess a lower bound for the phenomenon to occur. These findings are predicted with a multimode model and confirmed by full three-dimensional Gross-Pitaevskii simulations using an effective on-site interaction energy parameter.
关键词： on-site interaction energy,Bose-Einstein condensate,persistent currents,Gross-Pitaevskii simulations,multimode model,ring-shaped lattice
更新于2025-09-04 15:30:14