ArticleAngewandte Chemie (International ed. in English)2023
Not So Innocent After All: Interfacial Chemistry Determines Charge-Transport Efficiency in Single-Molecule Junctions.
Article in Angewandte Chemie (International ed. in English), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Insights to Orientation Dependence of Molecular Conduction Modeled by High-Level Quantum Embedding.Journal of computational chemistry · 2026Article
- Scanning Tunneling Microscope-Based Break-Junction TechniqueA Tutorial.ACS physical chemistry Au · 2026Article
- Theoretical determination of electronic properties of resorcinol and hydroquinone as building blocks of molecular wires.RSC advances · 2025Article
- Poly(p-phenylene phosphaborene): A Modified Poly(p-phenylene vinylene) with π-Conjugated B═P Linkages.Angewandte Chemie (International ed. in English) · 2025Article
- Single-Molecule Mechanoresistivity by Intermetallic Bonding.Angewandte Chemie (International ed. in English) · 2025Article
- Nuclear Magnetic Resonance Chemical Shift as a Probe for Single-Molecule Charge Transport.Angewandte Chemie (International ed. in English) · 2024Article
- Chemistry of the Au-Thiol Interface through the Lens of Single-Molecule Flicker Noise Measurements.Journal of the American Chemical Society · 2024Article
- Article
- An Orthogonal Conductance Pathway in Spiropyrans for Well-Defined Electrosteric Switching Single-Molecule Junctions.Small (Weinheim an der Bergstrasse, Germany) · 2024Article
- Charge Transport in Conjugated and Saturated Hydrocarbons: Comparing Ballistic and Cotunneling Contributions.The journal of physical chemistry. A · 2023Article
- Microscopic theory, analysis, and interpretation of conductance histograms in molecular junctions.Nature communications · 2023Article
- Not So Innocent After All: Interfacial Chemistry Determines Charge-Transport Efficiency in Single-Molecule Junctions.Angewandte Chemie (International ed. in English) · 2023Article
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Authors and funding
11 authors.
Funding
Abstract
Most studies in molecular electronics focus on altering the molecular wire backbone to tune the electrical properties of the whole junction. However, it is often overlooked that the chemical structure of the groups anchoring the molecule to the metallic electrodes influences the electronic structure of the whole system and, therefore, its conductance. We synthesised electron-accepting dithienophosphole oxide derivatives and fabricated their single-molecule junctions. We found that the anchor group has a dramatic effect on charge-transport efficiency: in our case, electron-deficient 4-pyridyl contacts suppress conductance, while electron-rich 4-thioanisole termini promote efficient transport. Our calculations show that this is due to minute changes in charge distribution, probed at the electrode interface. Our findings provide a framework for efficient molecular junction design, especially valuable for compounds with strong electron withdrawing/donating backbones.
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