Voltage-driven control of single-molecule keto-enol equilibrium in a two-terminal junction system
Keto-enol tautomerism, describing an equilibrium involving two tautomers with distinctive
structures, provides a promising platform for modulating nanoscale charge transport …
structures, provides a promising platform for modulating nanoscale charge transport …
Enhanced electron transport in nonconjugated radical oligomers occurs by tunneling
Incorporating temperature-and air-stable organic radical species into molecular designs is a
potentially advantageous means of controlling the properties of electronic materials …
potentially advantageous means of controlling the properties of electronic materials …
Insight into the origin of chiral-induced spin selectivity from a symmetry analysis of electronic transmission
The chiral-induced spin selectivity (CISS) effect, which describes the spin-filtering ability of
diamagnetic structures like DNA or peptides having chiral symmetry, has emerged in the …
diamagnetic structures like DNA or peptides having chiral symmetry, has emerged in the …
Mixed monolayers of spiropyrans maximize tunneling conductance switching by photoisomerization at the molecule–electrode interface in EGaIn junctions
S Kumar, JT van Herpt, RYN Gengler… - Journal of the …, 2016 - ACS Publications
This paper describes the photoinduced switching of conductance in tunneling junctions
comprising self-assembled monolayers of a spiropyran moiety using eutectic Ga–In top …
comprising self-assembled monolayers of a spiropyran moiety using eutectic Ga–In top …
Diradical character as a guiding principle for the insightful design of molecular nanowires with an increasing conductance with length
In recent years, a considerable interest has grown in the design of molecular nanowires with
an increasing conductance with length. The development of such nanowires is highly …
an increasing conductance with length. The development of such nanowires is highly …
Influence of electronic structure modeling and junction structure on first-principles chiral induced spin selectivity
MS Zöllner, A Saghatchi, V Mujica… - Journal of Chemical …, 2020 - ACS Publications
We have carried out a comprehensive study of the influence of electronic structure modeling
and junction structure description on the first-principles calculation of the spin polarization in …
and junction structure description on the first-principles calculation of the spin polarization in …
Conformation-driven quantum interference effects mediated by through-space conjugation in self-assembled monolayers
Tunnelling currents through tunnelling junctions comprising molecules with cross-
conjugation are markedly lower than for their linearly conjugated analogues. This effect has …
conjugation are markedly lower than for their linearly conjugated analogues. This effect has …
Conductance switching in expanded porphyrins through aromaticity and topology changes
Expanded porphyrins are flexible enough to switch between different π-conjugation
topologies, namely Möbius, Hückel and twisted-Hückel, each with distinct electronic …
topologies, namely Möbius, Hückel and twisted-Hückel, each with distinct electronic …
Strong Be− N Interaction Induced Complementary Chemical Tuning to Design a Dual‐gated Single Molecule Junction
D Sutradhar, A Sarmah, P Hobza… - … –A European Journal, 2023 - Wiley Online Library
The interaction between pyridines and the π‐hole of BeH2 leads to the formation of strong
beryllium‐bonded complexes. Theoretical investigations demonstrate that the Be− N …
beryllium‐bonded complexes. Theoretical investigations demonstrate that the Be− N …
DFT as a powerful predictive tool in photoredox catalysis: redox potentials and mechanistic analysis
Visible-light photoredox catalysis has come forth as a powerful activation mode in chemical
synthesis, affording the development of a multitude of new strategies for molecular …
synthesis, affording the development of a multitude of new strategies for molecular …