Two of the primary hurdles facing organic electronics and photovoltaics are their low charge mobility and the inability to disentangle morphological and molecular effects on charge transport. Specific chemical groups such as alkyl side chains are often added to enable spin-casting and to improve overall power efficiency and morphologies, but their exact influence on mobility is poorly understood. Here, we use two-photon photoemission spectroscopy to study the charge transport properties of two organic semiconductors, one with and one without alkyl substituents (sexithiophene and dihexyl-sexithiophene). We show that the hydrocarbon side chains are responsible for charge localization within 230 fs. This implies that other chemical groups should be used instead of alkyl ligands to achieve the highest performance in organic photovoltaics and electronics.
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http://dx.doi.org/10.1021/ja1066866 | DOI Listing |
Int J Mol Sci
January 2025
Louvain Institute of Molecular Science and Technology, Université catholique de Louvain, 5 (L7.07.10) Place Croix du Sud, 1348 Louvain-la-Neuve, Belgium.
genes play essential roles in patterning the anteroposterior axis of animal embryos and in the formation of various organs. In mammals, there are 39 genes organized into four clusters (HOXA-D) located on different chromosomes. In relationship with their orderly arrangement along the chromosomes, these genes show nested expression patterns which imply that embryonic territories co-express multiple genes along the main body axis.
View Article and Find Full Text PDFMolecules
December 2024
Department of Chemistry & Chemical Biology, The University of New Mexico, Albuquerque, NM 87131, USA.
Tetrodotoxin (TTX), a potent Site-1 sodium channel blocker (S1SCB), offers highly effective local anesthetic properties with minimal addiction potential. To fully leverage TTX's capabilities as a local anesthetic, it is crucial to develop a drug delivery system that balances its systemic toxicity with its therapeutic efficacy. Recent studies have shown that peptide mixtures, derived from fragments of Site-1 sodium channel proteins and enhanced with hydrophobic tails (designated MP1 and MP2), can self-assemble into nanostructures that exhibit remarkable sustained-release capabilities for TTX.
View Article and Find Full Text PDFJ Colloid Interface Sci
January 2025
College of New Materials and New Energies, Shenzhen Technology University, Shenzhen 518118, PR China. Electronic address:
The efficiency of graphitic carbon nitride (g-CN) in photocatalytic reduction of carbon dioxide (CO) is inhibited by the constrained CO chemisorption, insufficient light absorption and quick charge recombination. To address these problems, we successfully synthesized g-CN/AgInS (CN/AgInS) heterostructured photocatalytic materials via an electrostatic self-assembly method. An intimate phase contact between CN and AgInS is formed, paving the way for the charge transfer and redistribution near the interface of the CN/AgInS heterostructures.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Instituut-Lorentz, Universiteit Leiden, Leiden 2300RA, The Netherlands.
Embedding techniques allow the efficient description of correlations within localized fragments of large molecular systems while accounting for their environment at a lower level of theory. We introduce FragPT2: a novel embedding framework that addresses multiple interacting active fragments. Fragments are assigned separate active spaces, constructed by localizing canonical molecular orbitals.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Center of Nanomaterials for Renewable Energy (CNRE), State Key Laboratory of Electrical Insulation and Power Equipment, School of Electrical Engineering, Xi'an Jiaotong University, Xi'an 710049, P. R. China.
The Fe-N-C catalyst, featuring a single-atom Fe-N configuration, is regarded as one of the most promising catalytic materials for the oxygen reduction reaction (ORR). However, the significant activity difference under acidic and alkaline conditions of Fe-N-C remains a long-standing puzzle. In this work, using extensive ab initio molecular dynamics (AIMD) simulations, we revealed that pH conditions influence ORR activity by tuning the surface charge density of the Fe-N-C surface, rather than through the direct involvement of HO or OH ions.
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