.

Kenneth A Jung1, Joseph Kelly1, Thomas E Markland1

  • 1Department of Chemistry, Stanford University, Stanford, California 94305, USA.

概括

我们开发了一个准经典的方案,用于精确的电子转移模型在电极接口. 这种方法甚至捕捉了分子振动的动态,为凝聚相系统提供了可扩展的解决方案.

相关概念视频

Interfacial Electrochemical Methods: Overview01:06

Interfacial Electrochemical Methods: Overview

Interfacial electrochemical methods focus on the phenomena occurring at the boundary between an electrode and a solution, as opposed to bulk methods that concentrate on the solution's overall properties. These interfacial methods are classified as either static or dynamic based on the presence of a nonzero current in the electrochemical cell and the consistency of analyte concentrations. Static methods, such as potentiometry, measure the cell's potential without any significant current...
289
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's...
1.3K
Fermi Level Dynamics01:12

Fermi Level Dynamics

The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
286
Electric Field at the Surface of a Conductor01:26

Electric Field at the Surface of a Conductor

Consider a conductor in electrostatic equilibrium. The net electric field inside a conductor vanishes, and extra charges on the conductor reside on its outer surface, regardless of where they originate.
In the 19th century, Michael Faraday conducted the famous ice pail experiment to prove that the charges always reside on the surface of a conductor. The experimental set-up consists of a conducting uncharged container mounted on an insulating stand. The outer surface of the container is...
4.7K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
1.1K
Electrostatic Boundary Conditions01:16

Electrostatic Boundary Conditions

Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
The surface integral of an electric field is given by Gauss's law in integral form and is related to...
522