Search results for "Density"
showing 10 items of 4402 documents
Real-space quantum transport in two-dimensional nanostructures in magnetic fields
2013
Copper-hydride nanoclusters with enhanced stability by N-heterocyclic carbenes
2021
AbstractCopper-hydrides have been intensively studied for a long time due to their utilization in a variety of technologically important chemical transformations. Nevertheless, poor stability of the species severely hinders its isolation, storage and operation, which is worse for nano-sized ones. We report here an unprecedented strategy to access to ultrastable copper-hydride nanoclusters (NCs), namely, using bidentate N-heterocyclic carbenes as stabilizing ligands in addition to thiolates. In this work, a simple synthetic protocol was developed to synthesize the first large copper-hydride nanoclusters (NCs) stabilized by N-heterocyclic carbenes (NHCs). The NC, with the formula of Cu31(RS)2…
Thiol-Stabilized Atomically Precise, Superatomic Silver Nanoparticles for Catalyzing Cycloisomerization of Alkynyl Amines
2018
Abstract Both the electronic and surface structures of metal nanomaterials play critical roles in determining their chemical properties. However, the non-molecular nature of conventional nanoparticles makes it extremely challenging to understand the molecular mechanism behind many of their unique electronic and surface properties. In this work, we report the synthesis, molecular and electronic structures of an atomically precise nanoparticle, [Ag206L72]q (L = thiolate, halide; q = charge). With a four-shell Ag7@Ag32@Ag77@Ag90 Ino-decahedral structure having a nearly perfect D5h symmetry, the metal core of the nanoparticle is co-stabilized by 68 thiolate and 4 halide ligands. Both electroche…
Flat-band superconductivity in strained Dirac materials
2016
We consider superconducting properties of a two-dimensional Dirac material such as graphene under strain that produces a flat band spectrum in the normal state. We show that in the superconducting state, such a model results in a highly increased critical temperature compared to the case without the strain, inhomogenous order parameter with two-peak shaped local density of states and yet a large and almost uniform and isotropic supercurrent. This model could be realized in strained graphene or ultracold atom systems and could be responsible for unusually strong superconductivity observed in some graphite interfaces and certain IV-VI semiconductor heterostructures.
Superfluid weight and Berezinskii-Kosterlitz-Thouless transition temperature of twisted bilayer graphene
2019
We study superconductivity of twisted bilayer graphene with local and non-local attractive interactions. We obtain the superfluid weight and Berezinskii-Kosterlitz-Thouless (BKT) transition temperature for microscopic tight-binding and low-energy continuum models. We predict qualitative differences between local and non-local interaction schemes which could be distinguished experimentally. In the flat band limit where the pair potential exceeds the band width we show that the superfluid weight and BKT temperature are determined by multiband processes and quantum geometry of the band.
Field dependence of the vortex-core sizes in dirty two-band superconductors
2019
We study the structure of Abrikosov vortices in two-band superconductors for different external magnetic fields and different parameters of the bands. The vortex core size determined by the coherence lengths are found to have qualitatively different behaviour from that determined by the quasiparticle density of states spatial variation. These different vortex core length scales coincide near the upper critical field, while the discrepancy between them becomes quite significant at lower fields. Within the diffusive approximation we demonstrate several generic regimes in the field dependence of the vortex core sizes determined by the disparity of diffusion constants in the two bands.
Stationary and Nontationary Response Probability Density Function of a Beam under Poisson White Noise
2011
In this paper an approximate explicit probability density function for the analysis of external oscillations of a linear and geometric nonlinear simply supported beam driven by random pulses is proposed. The adopted impulsive loading model is the Poisson White Noise , that is a process having Dirac’s delta occurrences with random intensity distributed in time according to Poisson’s law. The response probability density function can be obtained solving the related Kolmogorov-Feller (KF) integro-differential equation. An approximated solution, using path integral method, is derived transforming the KF equation to a first order partial differential equation. The method of characteristic is the…
Constant inner potential DFT for modelling electrochemical systems under constant potential and bias
2021
Electrochemical interfaces and reactions play a decisive role in e.g. clean energy conversion but understanding their complex chemistry remains an outstanding challenge. Constant potential or grand canonical ensemble (GCE) simulations are indispensable for unraveling the properties of electrochemical processes as a function of the electrode potential. Currently, constant electrode potential calculations at the density functional theory (DFT) level are carried out by fixing the Fermi level of the simulation cell. However, the Fermi level from DFT calculations does does not always reflect the experimentally controlled electrode potential or describe the thermodynamic independent variable in G…
Non-linear systems under parametric alpha-stable LÉVY WHITE NOISES
2005
In this study stochastic analysis of nonlinear dynamical systems under a-stable, multiplicative white noise has been performed. Analysis has been conducted by means of the Ito rule extended to the case of α-stable noises. In this context the order of increments of Levy process has been evaluated and differential equations ruling the evolutions of statistical moments of either parametrically and external dynamical systems have been obtained. The extended Ito rule has also been used to yield the differential equation ruling the evolution of the characteristic function for parametrically excited dynamical systems. The Fourier transform of the characteristic function, namely the probability den…