Electron transport through self-assembled monolayers of tripeptides

We report how the electron transport through a solid-state metal/Gly-Gly-His tripeptide (GGH) monolayer/metal junction and the metal/GGH work function are modified by the GGH complexation with Cu2+ ions. Conducting AFM is used to measure the current-voltage histograms. The work function is characterized by combining macroscopic Kelvin probe and Kelvin probe force microscopy at the nanoscale. We observe that the Cu2+ ions complexation with the GGH monolayer is highly dependent on the molecular surface density and results in opposite trends. In the case of a high density monolayer the conformational changes are hindered by the proximity of the neighboring peptides, hence forming an insulating layer in response to copper-complexation. Whereas the slightly lower density monolayers allow for the conformational change to a looped peptide wrapping the Cu-ion, which results in a more conductive monolayer. Copper-ion complexation to the high- and low-density monolayers systematically induces an increase of the work functions. Copper-ion complexation to the low-density monolayer induces an increase of electron transport efficiency, while the copper-ion complexation to the high-density monolayer results in a slight decrease of electron transport. Both of the observed trends are in agreement with first-principle calculations. Complexed copper to low density GGH-monolayer induces a new gap state slightly above the Au Fermi energy that is absent in the high density monolayer.Comment: Full paper with supporting informatio

Impact of device geometry on electron and phonon transport in graphene nanorings

Recent progress in nanostructuring of materials opens up possibilities to achieve more efficient thermoelectric devices. Nanofilms, nanowires, and nanorings may show increased phonon scattering while keeping good electron transport, two of the basic ingredients for designing more efficient thermoelectric systems. Here we argue that graphene nanorings attached to two leads meet these two requirements. Using a density-functional parametrized tight-binding method combined with Green's function technique, we show that the lattice thermal conductance is largely reduced as compared to that of graphene nanoribbons. At the same time, numerical calculations based on the quantum transmission boundary method, combined with an effective transfer matrix method, predict that the electric properties are not considerably deteriorated, leading to an overall remarkable thermoelectric efficiency. We conclude that graphene nanorings can be regarded as promising candidates for nanoscale thermoelectric devices

Green function, quasi-classical Langevin and Kubo–Greenwood methods in quantum thermal transport

With the advances in fabrication of materials with feature sizes at the order of nanometers, it has been possible to alter their thermal transport properties dramatically. Miniaturization of device size increases the power density in general, hence faster electronics require better thermal transport, whereas better thermoelectric applications require the opposite. Such diverse needs bring new challenges for material design. Shrinkage of length scales has also changed the experimental and theoretical methods to study thermal transport. Unsurprisingly, novel approaches have emerged to control phonon flow. Besides, ever increasing computational power is another driving force for developing new computational methods. In this review, we discuss three methods developed for computing vibrational thermal transport properties of nano-structured systems, namely Green function, quasi-classical Langevin, and Kubo-Green methods. The Green function methods are explained using both nonequilibrium expressions and the Landauer-type formula. The partitioning scheme, decimation techniques and surface Green functions are reviewed, and a simple model for reservoir Green functions is shown. The expressions for the Kubo-Greenwood method are derived, and Lanczos tridiagonalization, continued fraction and Chebyshev polynomial expansion methods are discussed. Additionally, the quasi-classical Langevin approach, which is useful for incorporating phonon-phonon and other scatterings is summarized

Fluidic and mechanical thermal control devices

In recent years, intensive studies on thermal control devices have been conducted for the thermal management of electronics and computers as well as for applications in energy conversion, chemistry, sensors, buildings, and outer space. Conventional cooling or heating techniques realized using traditional thermal resistors and capacitors cannot meet the thermal requirements of advanced systems. Therefore, new thermal control devices are being investigated to satisfy these requirements. These devices include thermal diodes, thermal switches, thermal regulators, and thermal transistors, all of which manage heat in a manner analogous to how electronic devices and circuits control electricity. To design or apply these novel devices as well as thermal control principles, this paper presents a systematic and comprehensive review of the state-of-the-art of fluidic and mechanical thermal control devices that have already been implemented in various applications for different size scales and temperature ranges. Operation principles, working parameters, and limitations are discussed and the most important features for a particular device are identified