Transition Metal Based Spin-Tuned Charge Transfer in Single-Molecule Junctions.

Investigating the correlation between metal coordination and molecular conductivity in single-molecule systems is essential for advancing our knowledge of molecular electronics, particularly in the realm of spintronics. In the present study, we developed two complex wires utilizing the bipyridine ligand and two transition metal ions, Co and Zn, aiming to study the impact of different spin characters on single-molecule charge transport properties. Single-molecule conductance was investigated using scanning tunnelling microscope breaking junctions (STM-BJ) technique and the underlying mechanism was analysed by density functional theory (DFT) calculations.

Structure and single-molecule conductance of two endohedral metallofullerenes with large C cage.

Endohedral metallofullerenes are capable of holding peculiar metal clusters inside the carbon cage. Additionally, these display many chemical and physical properties originating from the complexation between the metal clusters and carbon cages, which could be acquired for wide applications. In this study, two metallofullerenes (CeO@C and CeN@C) with an identical large C-(35) cage, and their molecular structures and single-molecule conductance properties were investigated comparatively.

Multiple heteroatom substitution effect on destructive quantum interference in tripodal single-molecule junctions.

Quantum interference (QI) has been identified as a promising strategy for designing molecular-scale electronic devices. Heteroatom doping can effectively tailor the local structures and electronic states of intrinsic molecules, and endow them with modified electron transport properties. Herein, the impacts of multiple heteroatom substitution on destructive quantum interference (DQI) have been investigated based on tripodal -linked phenyl derivatives.

A Metallofullertube of Ce @C with a Carbon Nanotube Segment: Synthesis, Single-Molecule Conductance and Supramolecular Assembly.

Tubular fullerenes can be considered as end-capped carbon nanotubes with accurate structure, which are promising nanocarbon materials for advanced single-molecule electronic devices. Herein, we report the synthesis and characterization of a metallofullertube Ce @D (450)-C , which has a tubular C cage with a carbon nanotube segment and two fullerene end-caps. As there are structure correlations between tubular Ce @D (450)-C and spherical Ce @I -C , their structure-property relationship has been compared by means of experimental and theoretical methods.