The use of molecules bridged between two electrodes as a stable rectifier is an important
goal in molecular electronics. Until recently, however, and despite extensive experimental …

Electronic transport properties of single-molecule junctions have been widely measured by
several techniques, including mechanically controllable break junctions, electromigration …

Gold–thiol contacts are ubiquitous across the physical and biological sciences in connecting
organic molecules to surfaces. When thiols bind to gold in self-assembled monolayers …

Molecular electronics aims to miniaturize electronic devices by using subnanometre-scale
active components,,. A single-molecule diode, a circuit element that directs current flow, was …

Excitation gaps are of considerable significance in electronic structure theory. Two different
gaps are of particular interest. The fundamental gap is defined by charged excitations, as the …

As the dimensions of a conductor approach the nanoscale, quantum effects begin to
dominate, and it becomes possible to control the conductance through direct manipulation of …

Molecular junctions, where single molecules are bound to metal or semiconductor
electrodes, represent a unique architecture to investigate molecules in a distinct …

According to Kirchhoff's circuit laws, the net conductance of two parallel components in an
electronic circuit is the sum of the individual conductances. However, when the circuit …

We present a broadly applicable, physically motivated, first-principles approach to
determining the fundamental gap of finite systems from single-electron orbital energies. The …

The charge transport characteristics of 11 tailor-made dithiol-terminated oligo (phenylene-
ethynylene)(OPE)-type molecules attached to two gold electrodes were studied at a …