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We present a qualitative model for a fundamental process in molecular electronics: the change in conductance upon bond breaking. In our model a diatomic molecule is attached to spin-polarized contacts. Employing a Hubbard Hamiltonian,…

There has been tremendous experimental progress in the last decade in identifying the structure and function of biological pores (ion channels) and fabricating synthetic pores. Despite this progress, many questions still remain about the…

We present an overview of current-induced effects in nanoscale conductors with emphasis on their description at the atomic level. In particular, we discuss steady-state current fluctuations, current-induced forces, inelastic scattering and…

Short nanopores have various applications in biosensing, desalination, and energy conversion. Here, the modulation of charged exterior surfaces on ionic transport is investigated through simulations with sub-200 nm long nanopores under…

Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes. In this review,…

We study the effect of localized magnetic moments on the conductance of a helical edge. Interaction with a local moment is an effective backscattering mechanism for the edge electrons. We evaluate the resulting differential conductance as a…

The interface between a liquid and a solid is the location of plethora of intrincate mechanisms at the nanoscale, at the root of their specific emerging properties in natural processes or technological applications. However, while the…

It has been suggested that microtubules and other cytoskeletal filaments may act as electrical transmission lines. An electrical circuit model of the microtubule is constructed incorporating features of its cylindrical structure with…

We employ the time-dependent non-crossing approximation to investigate the joint effect of strong electron-electron and electron-phonon interaction on the instantaneous conductance of a single molecule transistor which is abruply moved into…

We study linear electron transport through a molecular wire sandwiched between nanotube leads. We show that the presence of such electrodes strongly influences the calculated conductance. We find that depending on the quality and geometry…

Charge and heat transfer through a nanoscale conductor is not only determined by the transmission properties of the electrons, but can also be strongly impacted by coupling to other degrees of freedom in the environment of the conductor.…

Understanding the interplay between illumination and the electron distribution in metallic nanostructures is a crucial step towards developing applications such as plasmonic photo-catalysis for green fuels, nano-scale photo-detection and…

We characterize the energy loss of the non-equilibrium electron system in individual metallic single-walled carbon nanotubes at low temperature. Using Johnson noise thermometry, we demonstrate that, for a nanotube with ohmic contacts, the…

We theoretically study the electrolyte Seebeck effect in the vicinity of a heated metal nanostructure, such as the cap of an active Janus colloid in an electrolyte, or gold- coated interfaces in optofluidic devices. The thermocharge…

We demonstrate the possiblity to cool nanoelectronic systems in nonequilibrium situations by increasing the temperature of the environment. Such cooling by heating is possible for a variety of experimental conditions where the relevant…

Electronic current in a nanometer-size rod is theoretically investigated by an eigen-channel decomposition method in nonequilibrium Green's function formalism. Physical properties, such as the local density of electrons and local current,…

Ion mobility and ionic conductance in nanodevices are known to deviate from bulk behavior, a phenomenon often attributed to surface effects. We demonstrate that dielectric mismatch between the electrolyte and the surface can qualitatively…

The effect of electric field, applied on systems in the nanoscale regime has attracted a lot of research in recent times. We highlight some of the recent results in the field of single molecule electronics and then move on to focus on some…

Thermoelectric materials convert heat into electricity through thermally driven charge transport in solids, or vice versa for cooling. To be competitive with conventional energy-generation technologies, a thermoelectric material must…

We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…