The source and sink potential model is used to predict the existence of omni-conductors (and omni-insulators): molecular conjugated π systems that respectively support ballistic conduction or show insulation at the Fermi level, irrespective of the centres chosen as connections. Distinct, ipso, and strong omni-conductors/omni-insulators show Fermi-level conduction/insulation for all distinct pairs of connections, for all connections via a single centre, and for both, respectively. The class of conduction behaviour depends critically on the number of non-bonding orbitals (NBO) of the molecular system (corresponding to the nullity of the graph). Distinct omni-conductors have at most one NBO; distinct omni-insulators have at least two NBO; stro...
The theoretical work carried out in this thesis presents the electrical properties of two different ...
The exploring and understanding the electronic properties of molecules connected to metallic leads i...
ConspectusThis Account provides an overview of our recent efforts to unravel charge transport charac...
Ernzerhof's source-and-sink-potential (SSP) model for ballistic conduction in conjugated π systems p...
Within the source-and-sink-potential model, a complete characterisation is obtained for the conducti...
We re-derive the tight-binding source-sink potential (SSP) equations for ballistic conduction throug...
Highly conductive single-molecule junctions typically involve π-conjugated molecular bridges, whose ...
Omniconjugation is introduced as a new architectural concept for the design of complex molecular str...
This thesis presents a series of studies into the electronic, thermal and thermoelectric properties ...
In this paper, omniconjugation is introduced as a topological phenomenon in π-conjugated systems. Om...
Highly conductive single-molecule junctions typically involve pi-conjugated molecular bridges, whose...
We have investigated a large set of symmetric and asymmetric molecules to demonstrate a general rule...
As the size scale of electrical devices approach the atomic scale. Moore\u27s law is predicted to be...
Molecular electronics covers several distinctly different conducting architectures, including organi...
Stable organic radicals integrated into molecular junctions represent a practical realization of the...
The theoretical work carried out in this thesis presents the electrical properties of two different ...
The exploring and understanding the electronic properties of molecules connected to metallic leads i...
ConspectusThis Account provides an overview of our recent efforts to unravel charge transport charac...
Ernzerhof's source-and-sink-potential (SSP) model for ballistic conduction in conjugated π systems p...
Within the source-and-sink-potential model, a complete characterisation is obtained for the conducti...
We re-derive the tight-binding source-sink potential (SSP) equations for ballistic conduction throug...
Highly conductive single-molecule junctions typically involve π-conjugated molecular bridges, whose ...
Omniconjugation is introduced as a new architectural concept for the design of complex molecular str...
This thesis presents a series of studies into the electronic, thermal and thermoelectric properties ...
In this paper, omniconjugation is introduced as a topological phenomenon in π-conjugated systems. Om...
Highly conductive single-molecule junctions typically involve pi-conjugated molecular bridges, whose...
We have investigated a large set of symmetric and asymmetric molecules to demonstrate a general rule...
As the size scale of electrical devices approach the atomic scale. Moore\u27s law is predicted to be...
Molecular electronics covers several distinctly different conducting architectures, including organi...
Stable organic radicals integrated into molecular junctions represent a practical realization of the...
The theoretical work carried out in this thesis presents the electrical properties of two different ...
The exploring and understanding the electronic properties of molecules connected to metallic leads i...
ConspectusThis Account provides an overview of our recent efforts to unravel charge transport charac...