Related papers: Charge migration in metal-organic frameworks
We have developed and applied a mobility edge model that takes into account drift and diffusion currents to characterize the space charge limited current in organic semiconductors. The numerical solution of the drift-diffusion equation…
We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The…
The charge carrier drift mobility in disordered semiconductors is commonly graphically extracted from time-of-flight (ToF) photocurrent transients yielding a single transit time. However, the term transit time is ambiguously defined and…
Metal-organic frameworks show both fundamental interest and great promise for applications in adsorption-based technologies, such as the separation and storage of gases. The flexibility and complexity of the molecular scaffold poses a…
Recently amorphous oxide semiconductors (AOS) have gained commercial interest due to their low-temperature processability, high mobility and areal uniformity for display backplanes and other large area applications. A multi-cation amorphous…
The effects of lattice distortion and chemical disorder on charge transport properties of two-terminal zigzag phosphorene nanoribbons (zPNRs), which shows resonant tunneling behavior under an electrical applied bias, are studied. Our…
We propose metal-organic frameworks (MOFs) as tunable platforms for nonlinear Hall responses. A universal analytical downfolding scheme maps $C_3$-symmetric frameworks onto star- and honeycomb-lattice models, reproducing first-principles…
Transport of charge carriers in mechanically soft semiconductors is mainly limited by their interaction with slow intermolecular phonons. Carrier motion exhibits a crossover from superdiffusive to subdiffusive, producing a distinct…
Machine learning interatomic potentials (MLIPs) require generating computationally expensive, large-scale training datasets to accurately simulate materials and molecules. Incorporating electronic structure information using multitask…
The phenomenology of charge transport in synthetic metals is reviewed. It is argued that the conventional quasiparticle picture and Boltzmann transport theory do not apply to these materials. The central ideas of Fermi liquid theory are…
A small deformation controlled by four free parameters to the Schwarzschild metric could be referred to a nonspinning black hole solution in alternative theories of gravity. Because such a non-Schwarzschild metric can be changed into a…
We investigate the ground-state properties of monolayer MoS$_2$ incorporating the Coulomb interaction together with a short-range intervalley interaction between charged particles between two valleys within the Hartree-Fock approximation.…
The spinless Falicov-Kimball model exhibits outside the particle-hole symmetric point different stable nonhomogeneous charge orderings. These include the well known charge stripes and a variety of orderings with phase separated domains,…
We study the current and the associated noise for the transport through a two-site molecule driven by an external oscillating field. Within a high-frequency approximation, the time-dependent Hamiltonian is mapped to a static one with…
The spin-one-half Falicov-Kimball model is solved exactly on an infinite-coordination-number Bethe lattice in the thermodynamic limit. This model is a paradigm for a charge-transfer metal-insulator transition where the occupancy of…
A first principle theory of charge transport in spatially inhomogeneous quantum systems composed of any finite number of particles and subject to weak electro-magnetic fields is developed. Simple analytical expressions for the linear…
The static topological fractional charge (TFC) in condensed matter systems is related to the band topology and thus has potential applications in topological quantum computation. However, the experimental measurement of these TFCs in…
Exact eigenstates for a set of two or more interacting electronic orbits in a magnetic field are studied for a class of factorized Hamiltonians with coupled Fermi surfaces. We study the condition for the existence of annihilation-creation…
Thermal transport in metal-organic frameworks (MOFs) is of practical interest in diverse applications such as gas storage and separations, since insufficient heat dissipation can lead to detrimental effects. Despite investigations,…
Charge transport in amorphous oxide semiconductors is often described as the band transport affected by disorder in the form of random potential barriers (RB). Theoretical studies in the framework of this approach neglected so far the…