相关论文: Stabilizing single atom contacts by molecular brid…
The phase diagram of binary mixtures of particles interacting via a pair potential of parallel dipoles is computed at zero temperature as a function of composition and the ratio of their magnetic susceptibilities. Using lattice sums, a rich…
We propose a new structural model for the Si(111)-(5x2)-Au reconstruction. The model incorporates a new experimental value of 0.6 monolayer for the coverage of gold atoms, equivalent to six gold atoms per 5x2 cell. Five main theoretical…
Soft clay-like Li-superionic conductors have been recently synthesized by mixing rigid-salts. Through computational and experimental analysis, we clarify how a soft clay-like material can be created from a mixture of rigid-salts. Using…
We present a theoretical study of the conductance and thermopower of single-molecule junctions based on C60 and C60-terminated molecules. We first analyze the transport properties of gold-C60-gold junctions and show that these junctions can…
Despite extensive investigations of dissipation and deformation processes in micro- and nano- sized metallic samples, the mechanisms at play during deformation of systems with ultimate, molecular size remain elusive. While metallic…
Suspended chains consisting of single noble metal and oxygen atoms have been formed. We provide evidence that oxygen can react with and be incorporated into metallic one-dimensional atomic chains. Oxygen incorporation reinforces the linear…
We have recently identified metal-sandwich (MS) crystal structures and shown with ab initio calculations that the MS lithium monoboride phases are favored over the known stoichiometric ones under hydrostatic pressure [Phys. Rev. B 73,…
Melting and hybridization of DNA-capped gold nanoparticle networks are investigated with optical absorption spectroscopy. Single-stranded, 12-base DNA-capped gold nanoparticles are linked with complementary, single-stranded, 24-base linker…
Transition metal diborides crystallise in the $\alpha$, $\gamma$, or $\omega$ type structure, in which pure transition metal layers alternate with pure boron layers stacked along the hexagonal [0001] axis. Here we view the prototypes as…
Tunneling through a localized barrier in a one-dimensional interacting electron gas has been studied recently using Luttinger liquid techniques. Stable phases with zero or unit transmission occur, as well as critical points with universal…
Colloidal interactions in nematic liquid crystals can be described as interactions between elastic multipoles that depend on particle shape, topology, chirality, boundary conditions and induced topological defects. Here, we describe a…
We report here an original single-step process for synthesis and self-organization of gold colloids by simply incorporating gold salts into a solution prepared with Polystyrene (PS) - Polymethylmethacrylate (PMMA) copolymer, thiolated PS…
Molecules are many body systems with a substantial amount of entanglement between their electrons. Is there a way to break the molecular bond of a diatomic molecule and obtain two atoms in their ground state which are still entangled and…
We develop a computational method for evaluating the damping of vibrational modes in mono-atomic metallic chains suspended between bulk crystals under external strain. The damping is due to the coupling between the chain and contact modes…
We have investigated Au atomic contacts in H$_{2}$ and D$_{2}$ environment by conductance measurement and $dI/dV$ spectroscopy. A single H$_{2}$ or D$_{2}$ molecule was found to bridge Au electrodes. In the case of the Au/H$_{2}$/Au…
Based on first-principles calculations we show that gold atoms can form both free-standing and tip-suspended chiral single-wall nanotubes composed of helical atomic strands. Free-standing, infinite (5,5) tube is found to be energetically…
We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…
Applying ac voltages, we trapped gold nanoparticles between microfabricated electrodes under well-defined conditions. We demonstrate that the nanoparticles can be controllably fused together to form homogeneous gold nanowires with…
Recent STM molecular break-junction experiments have revealed multiple series of peaks in the conductance histograms of alkanedithiols. To resolve a current controversy, we present here an in-depth study of charge transport properties of…
Single-atom catalysts have attracted significant attention due to their exceptional atomic utilization and high efficiency in a range of catalytic reactions. However, these systems often face thermodynamic instability, leading to…