98%
921
2 minutes
20
This paper describes physical-organic studies of charge transport by tunneling through self-assembled monolayers (SAMs), based on systematic variations of the structure of the molecules constituting the SAM. Replacing a -CH(2)CH(2)- group with a -CONH- group changes the dipole moment and polarizability of a portion of the molecule and has, in principle, the potential to change the rate of charge transport through the SAM. In practice, this substitution produces no significant change in the rate of charge transport across junctions of the structure Ag(TS)-S(CH(2))(m)X(CH(2))(n)H//Ga(2)O(3)/EGaIn (TS = template stripped, X = -CH(2)CH(2)- or -CONH-, and EGaIn = eutectic alloy of gallium and indium). Incorporation of the amide group does, however, increase the yields of working (non-shorting) junctions (when compared to n-alkanethiolates of the same length). These results suggest that synthetic schemes that combine a thiol group on one end of a molecule with a group, R, to be tested, on the other (e.g., HS~CONH~R) using an amide-based coupling provide practical routes to molecules useful in studies of molecular electronics.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1021/ja301778s | DOI Listing |
J Phys Chem Lett
September 2025
School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, People's Republic of China.
Inverted quantum dot light-emitting diodes (QLEDs) show great promise for next-generation displays due to their compatibility with integrated circuit architectures. However, their development has been hindered by inefficient exciton utilization and charge transport imbalance. Here, we present a strategy for regulating charge-exciton dynamics through the rational design of a multifunctional hole transport layer (HTL), incorporating polyethylenimine ethoxylated (PEIE) as a protective interlayer in fully-solution-processed inverted red QLEDs.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87106, United States.
Defects significantly influence charge transport in CHNHPbI (MAPbI) perovskite solar cells, particularly at interfaces. Using quantum dynamics simulation, we reveal a distinct interstitial iodine (I) defect behavior at different positions in the TiO/MAPbI system. In the perovskite bulk-like region, I exhibits high mobility and dissociates detrimental iodine trimers, facilitating small-to-large polaron transition and promoting shallow trap formation.
View Article and Find Full Text PDFNanoscale
September 2025
School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu 611731, China.
Although improving the charging cutoff voltage is an effective strategy to increase its capacity, LiCoO ("LCO") undergoes rapid capacity decay due to severe structural and interface degradations at high voltages. Herein, we proposed a multifunctional surface modification by coating nano-sized entropy materials (Li-La-Ti-Zr-Co-O, Nano-MEO). Nano-MEO rivets were constructed on the surface of LCO, which stabilized the fragile surface.
View Article and Find Full Text PDFJ Phys Chem C Nanomater Interfaces
September 2025
Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States.
Density functional theory (DFT) calculations are employed to investigate the formation energies, charge redistribution, and binding energies of iron-oxygen divacancies in magnetite (FeO) and hematite (FeO). For magnetite, we focus on the low-temperature phase to explore variations with local environments. Building on previous DFT calculations of the variations in formation energies for oxygen vacancies with local charge and spin order in magnetite, we extend this analysis to include octahedral iron vacancies before analyzing the iron-oxygen divacancies.
View Article and Find Full Text PDFRSC Adv
September 2025
Laboratory of Spectroscopic Characterization and Optical Materials, Faculty of Sciences, University of Sfax B.P. 1171 3000 Sfax Tunisia
Lithium metavanadate (LiVO) is a material of growing interest due to its monoclinic 2/ structure, which supports efficient lithium-ion diffusion through one-dimensional channels. This study presents a detailed structural, electrical, and dielectric characterization of LiVO synthesized a solid-state reaction, employing X-ray diffraction (XRD), scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS), and impedance/dielectric spectroscopy across a temperature range of 473-673 K and frequency range of 10 Hz to 1 MHz. XRD and Rietveld refinement confirmed high crystallinity and single-phase purity with lattice parameters = 10.
View Article and Find Full Text PDF