相关论文: The Smallest Molecular Switch
The interaction of standard model's particles with the axionic Dark Matter field may generate oscillating nuclear electric dipole moments (EDMs), oscillating nuclear Schiff moments and oscillating nuclear magnetic quadrupole moments (MQMs)…
The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…
The ability to switch magnetic elements by spin-orbit-induced torques has recently attracted much attention for a path towards high-performance, non-volatile memories with low power consumption. Realizing efficient spin-orbit-based…
We demonstrate that the conductance switching of benzo-bis(imidazole) molecules upon protonation depends on the lateral functional groups. The protonated H-substituted molecule shows a higher conductance than the neutral one (Gpro>Gneu),…
Single chlorophyll-a molecules, a vital resource for the sustenance of life on Earth, have been investigated by using scanning-tunneling-microscope manipulation and spectroscopy on a gold substrate at 4.6 K. The chlorophyll-a binds on…
Single metallocene molecules act as sensitive spin detectors when decorating the probe of a scanning tunneling microscope (STM). However, the impact of the atomic-scale electrode details on the molecular spin state has remained elusive to…
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…
We present a microscopic study of single-electron tunneling in nanomechanical double-barrier tunneling junctions formed using a vibrating scanning nanoprobe and a metallic nanoparticle connected to a metallic substrate through a molecular…
Gold nanoparticles (GNPs) constitute a breakthrough in modern chemistry. The recent success in the synthesis and total structure determination of the precise-composition GNPs provides exciting opportunities for fundamental studies and…
We investigate theoretically the switching characteristics of semiconducting carbon nanotubes connected to gold electrodes under an external (gate) electric field. We find that the external introduction of holes is necessary to account for…
We have observed a bimodal behaviour of the distribution of the asymmetry between the charges of the two heaviest products resulting from the decay of the quasi-projectile released in binary Xe+Sn and Au+Au collisions from 60 to 100 MeV/u.…
Using density functional theory, we investigate TM-cyclopentadienyl-benzene sandwich molecular wires (SMWs) which are composites of TM-cyclopentadienyl and TM-benzene wires (TM = transition metal (V, Fe)). All the SMWs are found to be…
Configuration transitions of individual molecules and atoms on surfaces are traditionally described with energy barriers and attempt rates using an Arrhenius law. This approach yields consistent energy barrier values, but also attempt rates…
Ensemble-averaged exchange bias in arrays of Fe/FeF2 nanodots has been deconvoluted into local, microscopic, bias separately experienced by nanodots going through different reversal modes. The relative fraction of dots in each mode can be…
In this work, we investigate the underlying physical mechanism for electric-field induced resistive switching in Au/MoS2/Au based memristive devices by combining reactive Molecular Dynamics (MD) and ab-initio quantum transport calculations.…
We report the studies of ultrafast electron nanocrystallography on size-selected Au nanoparticles (2-20 nm) supported on a molecular interface. Reversible surface melting, melting, and recrystallization were investigated with dynamical…
The molecular conductors [M(tmdt)$_2$] (M=Ni, Pt) consisting of single molecular species are investigated with $^{13}$C NMR and $^1$H NMR. The temperature dependences of $^{13}$C NMR shift and relaxation rate provide microscopic evidences…
Gamow-Teller(GT) transitions in the $\beta$ decays of $^9$Li and $^{11}$Li are investigated with theoretical calculations of antisymmetrized molecular dynamics. The calculated $B(GT)$ values are small for transitions to low-lying states in…
Molecular devices, as future electronics, seek low-resistivity contacts for the energy saving. At the same time, the contacts should intensify desired properties of tailored electronic elements. In this work, we focus our attention on two…
The work presents the electronic structure, spin state and optical properties of TM-dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni) which was modelled according to the recently reported Pt$^{II}$-dinuclear complex…