相关论文: Connection between charge transfer and alloying co…
We study the charge-density dynamics within the two-dimensional extended Hubbard model in the presence of long-range Coulomb interaction across the metal-insulator transition point. To take into account strong correlations we start from…
The dependencies of charged particle pseudorapidity density and transverse energy pseudorapidity density at midrapidity on the collision energy and on the number of nucleon participants, or centrality, measured in nucleus-nucleus collisions…
We discuss the nature of charge transfer in molecular conductors upon connecting to two metallic contacts and imposing a voltage bias across them. The sign of the charge transfer (oxidation vs. reduction) depends on the position of the…
Charge separation properties, that is the ability of a chromophore, or a chromophore/semiconductor interface, to separate charges upon light absorption, are crucial characteristics for an efficient photovoltaic device. Starting from this…
Charge transport in two zinc metal-organic frameworks (MOFs) has been investigated using periodic semiempirical molecular orbital calculations with the AM1* Hamiltonian. Restricted Hartree-Fock calculations underestimate the band gap…
This study explores the Chiral Magnetic Effect (CME) in ultra-relativistic heavy-ion collisions. The CME, observed as back-to-back charge separation along the magnetic field axis, is investigated using the newly developed Sliding Dumbbell…
Charges and their contribution to protein-protein interactions are essential for the key structural and dynamic properties of monoclonal antibody (mAb) solutions. In fact, they influence the apparent molecular weight, the static structure…
Differences in core level binding energies between atoms belonging to the same chemical species can be related to differences in their intra- and extra-atomic charge distributions, and differences in how their core holes are screened. With…
We address the steady-state behavior of a system consisting of several correlated monoatomic layers sandwiched between two metallic leads under the influence of a bias voltage. In particular, we investigate the effect of the local Hubbard…
Metal energy carriers recently gained growing interest in research as a promising storage and transport material for renewable electricity. Within the development of a metal-fueled circular energy economy, research involves a model…
To gain insight into the mechanism of charge-ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2M$^{n+}$ $\rightarrow$ M$^{(n+1)+}$ + M$^{(n-1)+}$, we (1) review and reconsider the charge state…
The several types of strongly intensive correlation variables are studied in nuclear collisions at LHC energy. These quantities are expected not to depend on centrality class width. They have been calculated in the dipole-based…
Strongly correlated metals close to the Mott transition display unusual transport regimes, together with large spectral weight transfers in optics and photoemission. We briefly review the theoretical understanding of these effects, based on…
A subnormal weighted shift may be transformed to another shift in various ways, such as taking the p-th power of each weight or forming the Aluthge transform. \ We determine in a number of cases whether the resulting shift is subnormal,…
Centrality-dependent double-differential transverse momentum spectra of negatively charged particles ($\pi^-$, $K^-$ and $\bar p$) at mid-(pseudo)rapidity interval in nuclear collisions are analyzed by the standard distribution in terms of…
Energy and charge transfer across metal-semiconductor interfaces are the fundamental driving forces for a broad range of applications, such as computing, energy harvesting, and photodetection. However, the exact roles and physical…
An interacting double layer system, with uniform positive background, is studied at finite temperature in the presense of a strong magnetic field corresponding to half filling in each layer. By mapping this system to composite fermions in…
Rechargeable lithium metal batteries (LMBs) with an ultrahigh theoretical energy density have attracted more and more attentions for their crucial applications of portable electronic devices, electric vehicles, and smart grids. However, the…
We study the variation of electron transmission through Au-S-benzene-S-Au junctions and related systems as a function of the structure of the Au:S contacts. For junctions with semi-infinite flat Au(111) electrodes, the highly coordinated…
Multideterminant calculations have been performed on model systems to emphasize the role of many-body effects in the general description of charge quantization experiments. We show numerically and derive analytically that a closed-shell…