Related papers: Multishelled Gold Nanowires
Dynamic bonding is an essential feature of many soft materials. Molecular simulations have proven to be a powerful tool for modeling bonding kinetics and thermodynamics in these materials, providing insights into their properties that…
We present a theoretical approach for understanding the stability of simple metal nanowires, in particular monovalent metals such as the alkalis and noble metals. Their cross sections are of order one nanometer so that small perturbations…
Transmission electron microscopy experiments have recently observed gold metal nanocylinders to thin down in a discrete manner: A kink--a step of order of one atomic layer--nucleates at one end and then moves along the wire, leaving a…
Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combining scanning tunneling microscopy with hierarchical ab…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
Helical multishell gold nanowire is studied theoretically for the formation mechanism of helical domain boundary. Nanowires with the wire length of more than 10 nm are relaxed by quantum mechanical molecular dynamics simulation with…
Molecular nanowires in which a single molecule bonds chemically to two metal electrodes and forms a stable electrically conducting bridge between them have been studied intensively for more than a decade. However the experimental…
This review article discusses and compares various techniques for fabricating metal nanowires. We begin by defining what we mean by a nanowire, and why such nanostructures are of scientific and technological interest. We then present…
Low-mass, high-Q, silicon nitride nanostrings are at the cutting edge of nanomechanical devices for sensing applications. Here we show that the addition of a chemically functionalizable gold overlayer does not adversely affect the Q of the…
We form single-electron transistors from individual chemically-synthesized gold nanoparticles, 5-15 nm in diameter, with monolayers of organic molecules serving as tunnel barriers. These devices allow us to measure the discrete electronic…
The freezing behavior of gold nanoclusters was studied by employing molecular dynamics simulations based on a semi-empirical embedded-atom method. Investigations of the gold nanoclusters revealed that, just after freezing, ordered…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
Electrodeposition is a fundamental process in electrochemistry, and has applications in numerous industries, such as corrosion protection, decorative finishing, energy storage, catalysis, and electronics. While there is a long history of…
Bulk gold is a good metal, i.e., conductor of electricity and heat, due to its delocalized electron density that can respond to extremely small external perturbations such as electric field or temperature gradient. In energy space, the…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
Since the first measurement of electron tunneling through an organic monolayer in 1971,(Mann and Kuhn, 1971) and the gedanken experiment of a molecular current rectifying diode in 1974,(Aviram and Ratner, 1974) molecular-scale electronics…
A remarkably quantitative understanding of the electrical and mechanical properties of metal wires with a thickness on the scale of a nanometer has been obtained within the free-electron model using semiclassical techniques. Convergent…
To investigate cylindrical ultrathin copper nanowires, we performed atomistic simulations using the steepest descent method. The stable structures of the cylindrical ultrathin copper nanowires were multi-shell packs composed of coaxial…
A nanoscale-sized Stirling engine with an atomistic working fluid has been modeled using molecular dynamics simulation. The design includes heat exchangers based on thermostats, pistons attached to a flywheel under load, and a regenerator.…
Silicon nanowires have attracted considerable interest due to their wide-ranging applications in nanoelectromechanical systems and nanoelectronics. Molecular dynamics simulations are powerful tools for studying the mechanical properties of…