相关论文: Metal-Organic Framework Breathing in Electric Fiel…
This paper present a model of dielectric barrier discharge DBD describe and simulate the electrical breakdown at atmospheric pressure in pure oxygen using Comsol Multiphysics for the better understanding and explanation of physical…
The ground states and collective excitations of trapped Fermion gases consisting of atoms with magnetic dipole moment are studied using a time-dependent density-matrix approach. The advantages of the density-matrix approach are that…
We use a new formula for the symplectic structure on the phase space of open string field theory to evaluate the energy of a D-brane carrying a constant electric flux. This is shown to be consistent with the energy computed using the…
An overview of several recent developments in density functional theory for classical inhomogeneous liquids is given. We show how Levy's constrained search method can be used to derive the variational principle that underlies density…
A magnetic-mechanical oscillating system consists of two identical leaf springs, a non-magnetic base, and some magnets. The leaf springs are fixed at the bottom to the non-magnetic base, while the magnet is attached to the top of the leaf…
We study minimum-energy pathways (MEPs) between the branches of metastable helical structures in chiral nematic liquid crystals (CNLCs)subjected to the electric field applied across the cell. By performing stability analysis we have found…
We report the first experimental evidence for a metallic phase in fluid molecular oxygen. Our electrical conductivity measurements of fluid oxygen under dynamic quasi-isentropic compression show that a non-metal/metal transition occurs at…
Metal-organic frameworks (MOFs) incorporating open metal sites (OMS) have been identified as promising sorbents for many societally relevant-adsorption applications including CO$_2$ capture, natural gas purification and H$_2$ storage. It is…
Wide band gap materials are particularly relevant at high temperatures. The band gap shrinkage at higher temperatures prevents device applications with narrow band gap semiconductors. Considering $\alpha$-phase strontium cyanurate as a…
In this series of three papers we present results from a combined experimental and theoretical effort to quantitatively describe capacitively coupled radio-frequency discharges in oxygen. The particle-in-cell Monte-Carlo model on which the…
The interaction of a femtosecond optical pulse with a Fe$_{1}$/(MgO)$_{3}$(001) metal/oxide heterostructure is investigated using time-dependent density functional theory (TDDFT) calculations in the real-time domain. We systematically study…
Recently, metal-organic frameworks (MOFs) have demonstrated their potential as solid-state electrolytes in proton exchange membrane fuel cells. However, the number of MOFs reported to exhibit proton conductivity remains limited, and the…
Many-electron dynamics induced by a symmetric monocycle electric-field pulse of large amplitude is theoretically investigated in one- and two-dimensional half-filled extended Hubbard models on regular lattices (i.e., without dimerization)…
Two-dimensional (2D) metal-organic frameworks (MOFs) hold immense potential for various applications due to their distinctive intrinsic properties compared to their 3D analogues. Herein, we designed in silico a highly stable…
The local electronic structure of muons (Mu) as dilute pseudo-hydrogen in single-crystalline $\beta$-Ga$_2$O$_3$ has been studied by the muon spin rotation/relaxation ($\mu$SR). High-precision measurements over a long time range of $\sim$25…
We study the effects of a uniform electric field on the the ground state and excitations of the three-dimensional U(1) spin liquid phase of a breathing pyrochlore lattice, arising due to the coupling between the conventional (Maxwell)…
Identifying optimal synthesis conditions for metal-organic frameworks (MOFs) is a major challenge that can serve as a bottleneck for new materials discovery and development. Trial-and-error approach that relies on a chemist's intuition and…
In this work, a generalized force-field methodology for the relaxation of large moir\'e heterostructures is proposed. The force-field parameters are optimized to accurately reproduce the structural degrees of freedom of some computationally…
Metal--organic frameworks (MOFs), which possess a high degree of crystallinity and a large surface area with tunable inorganic nodes and organic linkers, exhibit high stimuli-responsiveness and molecular adsorption selectivity that enable…
We formulate a general theory of the dielectric response of a lattice with a structural transition and a polarization instability due to a soft-optic mode coupled to low energy electronic excitations by the electromagnetic fields. the…