We report a robust approach to fabricate single-molecule transistors with covalent electrode–
molecule–electrode chemical bonds, ultrashort (∼ 1 nm) molecular channels, and high …

How substituents affect the conductance of single‐molecule junctions has been a subject of
ongoing debate. Here, a comparative study on the transport properties across a broader …

The conformational preferences of 28 sterically and electronically diverse N-aryl amides
were determined using density functional theory (DFT), using the B3LYP functional and 6 …

The development of molecular components functioning as switches, rectifiers or amplifiers is
a great challenge in molecular electronics. A desirable property of such components is …

Design principles for molecules with intrinsic directional charge transport will likely prove
crucial for breakthroughs in nanotechnology and other emerging fields like biosensors and …

We present a theoretical and computational work and demonstrate that cross-conjugated
molecules with electron-donating groups are efficient rectifiers with high conductance. The …

Three molecular species were modelled using TCNQ molecule as the electron acceptor and
DBTTF, Tetracene and ADT molecules as the electron donor. These donor and acceptor …

The work reported in this thesis focused on the use of redox-active metallosurfactants for
current rectification and redox-innocent metallosurfactants for corrosion inhibition. These …

This chapter describes a robust platform to create graphene nanogap electrodes and bridge
them covalently with individual molecules. Molecules have long been considered as …