相关论文: Triboelectric charge transfer theory driven by int…
Coulomb drag between parallel two-dimensional electronic layers is an excellent tool for the study of electron-electron interactions. In actual experiments, the layers display spatial charge density fluctuations due to imperfections such as…
We develop a hydrodynamic theory of charge and heat currents induced by traveling waves, such as surface acoustic waves, in graphene devices near charge neutrality. The currents depend on the intrinsic conductivity and viscosity of the…
The charge-transfer (CT) together with the polarization energy appears at second and higher orders in symmetry-adapted perturbation theory (SAPT). At present there is no theoretically compelling way of isolating the charge-transfer energy…
Based on explicit solution of current continuity equation in the graphene FET's channel the semi-classical diffusion-drift description of the carrier transport and I-V characteristics model has been developed. Role of rechargeable defects…
Charge transfer is a common phenomenon in van der Waals heterostructures with proper work function mismatch, which enables electrostatic gating to control band alignment and interlayer charge distributions. This provides a tunable platform…
The morphology of interfaces is known to play fundamental role on the efficiency of energy-related applications, such light harvesting or ion intercalation. Altering the morphology on demand, however, is a very difficult task. Here, we show…
The rate of electron transfer between a molecular species and a metal, each at a different local temperature, is examined theoretically through implementation of a bithermal (characterized by two temperatures) Marcus formalism. Expressions…
The interplay between spin and heat currents at magnetic insulator|nonmagnetic metal interfaces has been a subject of much scrutiny because of both fundamental physics and the promise for technological applications. While ferrimagnetic and,…
Long-range charge transfer excited states are notoriously badly underestimated in time-dependent density functional theory (TDDFT). We resolve how {\it exact} TDDFT captures charge transfer between open-shell species: in particular the role…
Interface interactions in 2D vertically stacked heterostructures play an important role in optoe-lectronic applications, photodetectors based on graphene/InSe heterostructures had shown promising performance nowadays. However, nonlinear…
The impact of the dispersion of the transport coefficients on the structure of the energy distribution function for charge carriers far from equilibrium has been investigated in effective-medium approximation for model densities of states.…
The dynamics of sharp interfaces separating two non-hydrostatically stressed solids is analyzed using the idea that the rate of mass transport across the interface is proportional to the thermodynamic potential difference across the…
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can affect the flow of electronic charge within a molecule.…
Molecular motor proteins serve as an essential component of intracellular transport by generating forces to haul cargoes along cytoskeletal filaments. Two species of motors that are directed oppositely (e.g. kinesin, dynein) can be attached…
The interface properties of interest in multilayers include interfacial charge densities, dipole densities, band offsets, and screening-lengths, among others. Most such properties are inaccesible to direct measurements, but are key to…
We study charge and energy transfer in two-site molecular electronic junctions in which electron transport is assisted by a vibrational mode. To understand the role of mode harmonicity/anharmonicity on transport behavior, we consider two…
Frictional properties of interfaces with dynamic chemical bonds have been the subject of intensive experimental investigation and modeling, as it provides important insights into the molecular origin of the empirical rate and state laws,…
The standard Maxwell formulation of the problem of polarized dielectrics suffers from a number of difficulties, both conceptual and practical. These difficulties are particularly significant in the case of liquid interfaces, where the…
Phenomenological theories of interfacial interactions have targeted terrestrial applications since long time and their exploitation has inspired our research programme to build up a macroscopic theory of gas-surface interactions targeting…
Phenomenological approach is developed in the theory of spin-valve type ferromagnetic junctions to describe exchange switching by current flowing perpendicular to interfaces. Forward and backward current switching effects are described and…