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http://dx.doi.org/10.1038/nmat3436 | DOI Listing |
Angew Chem Int Ed Engl
September 2024
Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, UK.
The metal-electrode interface is key to unlocking emergent behaviour in all organic electrified systems, from battery technology to molecular electronics. In the latter, interfacial engineering has enabled efficient transport, higher device stability, and novel functionality. Mechanoresistivity - the change in electrical behaviour in response to a mechanical stimulus and a pathway to extremely sensitive force sensors - is amongst the most studied phenomena in molecular electronics, and the molecule-electrode interface plays a pivotal role in its emergence, reproducibility, and magnitude.
View Article and Find Full Text PDFLangmuir
August 2024
Department of Chemistry and Biochemistry, Montclair State University, Montclair, New Jersey 07043, United States.
Phys Chem Chem Phys
August 2024
LAAS-CNRS, Université de Toulouse, CNRS, 31400 Toulouse, France.
In this theoretical work, we investigated the adsorption of a lactose molecule on metal-based surfaces, with a focus on the influence of the nature of the metal and of the type of exposed crystal facet on the adsorbed structures and energetics. More precisely, we considered three flat crystallographic facets of three face-centered cubic metals (gold, silver, and copper). For the global exploration of the energy landscape, we employed a multi-stage procedure where high-throughput searches, using a stochastic method that performs global optimization by iterating local searches, are followed by a refinement of the most probable adsorption conformations of the molecule at the level.
View Article and Find Full Text PDFNano Lett
July 2024
Department of Chemistry, Columbia University, New York, New York 10027, United States.
The electrostatic environment around nanoscale molecular junctions modulates charge transport; solvents alter this environment. Methods to directly probe solvent effects require correlating measurements of the local electrostatic environment with charge transport across the metal-molecule-metal junction. Here, we measure the conductance and current-voltage characteristics of molecular wires using a scanning tunneling microscope-break junction (STM-BJ) setup in two commonly used solvents.
View Article and Find Full Text PDFNano Lett
July 2024
Center of Single-Molecule Sciences, Institute of Modern Optics, Frontiers Science Center for New Organic Matter, Tianjin Key Laboratory of Micro-scale Optical Information Science and Technology, College of Electronic Information and Optical Engineering, Nankai University, 38 Tongyan Road, Jinnan District, Tianjin 300350, People's Republic of China.
Heterogeneous interfaces in most devices play a key role in the material performance. Exploring the atomic structure and electronic properties of metal-molecule interfaces is critical for various potential applications, such as surface sensing, molecular recognition, and molecular electronic devices. This study unveils a ubiquitous interfacial stereoelectronic effect in conjugated molecular junctions by combining first-principles simulation and scanning tunneling microscopy break junction technology.
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