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COSMO-RS (short for COnductor like Screening MOdel for Real Solvents) [1] [2] [3] is a quantum chemistry based equilibrium thermodynamics method with the purpose of predicting chemical potentials μ in liquids. It processes the screening charge density σ on the surface of molecules to calculate the chemical potential μ of each species in ...
In electrostatics, a perfect conductor is an idealized model for real conducting materials. The defining property of a perfect conductor is that static electric field and the charge density both vanish in its interior. If the conductor has excess charge, it accumulates as an infinitesimally thin layer of surface charge. An external electric ...
When a large number of such allowed levels have close-spaced energy values – i.e. have energies that differ only minutely – those close energy levels in combination are called an "energy band". There can be many such energy bands in a material, depending on the atomic number of the constituent atoms [a] and their distribution within the ...
The energy level of the bonding orbitals is lower, and the energy level of the antibonding orbitals is higher. For the bond in the molecule to be stable, the covalent bonding electrons occupy the lower energy bonding orbital, which may be signified by such symbols as σ or π depending on the situation.
The carrier density is important for semiconductors, where it is an important quantity for the process of chemical doping. Using band theory , the electron density, n 0 {\displaystyle n_{0}} is number of electrons per unit volume in the conduction band.
In solid-state physics, the valence band and conduction band are the bands closest to the Fermi level, and thus determine the electrical conductivity of the solid. In nonmetals, the valence band is the highest range of electron energies in which electrons are normally present at absolute zero temperature, while the conduction band is the lowest range of vacant electronic states.
Thermal contact resistance is significant and may dominate for good heat conductors such as metals but can be neglected for poor heat conductors such as insulators. [2] Thermal contact conductance is an important factor in a variety of applications, largely because many physical systems contain a mechanical combination of two materials.
A generalization of the Landauer formula for multiple terminals is the Landauer–Büttiker formula, [5] [4] proposed by Markus Büttiker [].If terminal has voltage (that is, its chemical potential is and differs from terminal chemical potential), and , is the sum of transmission probabilities from terminal to terminal (note that , may or may not equal , depending on the presence of a magnetic ...