Using a first principles approach, we study the electron transport properties of two molecules of length 2.5 nm, which are the building blocks for a new class of molecular wires containing fluorenone units. We show that the presence of side groups attached to these units leads to Fano resonances close to the Fermi energy. As a consequence electron transport through the molecule can be controlled either by chemically modifying the side group, or by changing the conformation of the side group. This sensitivity, which is not present in Breit-Wigner resonances, opens up new possibilities for novel single-molecule sensors
The ability of molecules to change colour on account of changes in solvent polarity is known as solv...
In this first-principles study, we present density-functional calculations of the electronic structu...
This paper reports highly efficient coherent tunneling in single-molecule wires of oligo-ferrocenes ...
In molecular electronics, the conductance strongly depends on the frontier energy levels and spatial...
In this work we describe a theoretical model that we have developed for describing electronic transp...
Charge transport phenomena in single-molecule junctions are often dominated by tunneling, with a tra...
One of the central problems of molecular electronics is to understand electron conduction properties...
A molecular wire is an organic molecule that forms a conducting bridge between electronic contacts. ...
The theoretical work carried out in this thesis presents the electrical properties of two different ...
We study the electronic and transport properties of two novel molecular wires made of atomic chains ...
Using a first principles approach to electron transport, we calculate the electrical and thermoelect...
In this paper, we study the electronic conductance of molecular nanowires by considering the electro...
If the factors controlling the decay in single-molecule electrical conductance G with molecular leng...
Understanding the electron and phonon transport properties of molecular junctions, which are formed ...
Ferrocene (Fc) is a promising candidate for nanoscale molecular devices since it offers electronic f...
The ability of molecules to change colour on account of changes in solvent polarity is known as solv...
In this first-principles study, we present density-functional calculations of the electronic structu...
This paper reports highly efficient coherent tunneling in single-molecule wires of oligo-ferrocenes ...
In molecular electronics, the conductance strongly depends on the frontier energy levels and spatial...
In this work we describe a theoretical model that we have developed for describing electronic transp...
Charge transport phenomena in single-molecule junctions are often dominated by tunneling, with a tra...
One of the central problems of molecular electronics is to understand electron conduction properties...
A molecular wire is an organic molecule that forms a conducting bridge between electronic contacts. ...
The theoretical work carried out in this thesis presents the electrical properties of two different ...
We study the electronic and transport properties of two novel molecular wires made of atomic chains ...
Using a first principles approach to electron transport, we calculate the electrical and thermoelect...
In this paper, we study the electronic conductance of molecular nanowires by considering the electro...
If the factors controlling the decay in single-molecule electrical conductance G with molecular leng...
Understanding the electron and phonon transport properties of molecular junctions, which are formed ...
Ferrocene (Fc) is a promising candidate for nanoscale molecular devices since it offers electronic f...
The ability of molecules to change colour on account of changes in solvent polarity is known as solv...
In this first-principles study, we present density-functional calculations of the electronic structu...
This paper reports highly efficient coherent tunneling in single-molecule wires of oligo-ferrocenes ...