相关实验视频

Updated: Jul 4, 2025

Electrochemical Impedance Spectroscopy as a Tool for Electrochemical Rate Constant Estimation
08:41

Electrochemical Impedance Spectroscopy as a Tool for Electrochemical Rate Constant Estimation

Published on: October 10, 2018

24.9K

限制DFT计算对氧化还原潜的准确性的因素

Bun Chan1,2

  • 1Graduate School of Engineering, Nagasaki University, Nagasaki, Japan.

Journal of computational chemistry
|February 5, 2024
PubMed
概括

计算化学方法通过平衡电离能和电子亲和度计算中的错误来准确预测氧化还原潜力,尽管溶解模型显示了局限性. 有机金属物种对准确的氧化还原潜力的预测提出了挑战.

关键词:
DFT计算的计算方法连续的溶解过程中.电子亲和力是一种电子亲和力.电离能量是电离的能量.氧化还原潜力是一种潜在的.

更多相关视频

EPR Monitored Redox Titration of the Cofactors of Saccharomyces cerevisiae Nar106:01

EPR Monitored Redox Titration of the Cofactors of Saccharomyces cerevisiae Nar1

Published on: November 26, 2014

13.5K
Reductive Electropolymerization of a Vinyl-containing Poly-pyridyl Complex on Glassy Carbon and Fluorine-doped Tin Oxide Electrodes09:17

Reductive Electropolymerization of a Vinyl-containing Poly-pyridyl Complex on Glassy Carbon and Fluorine-doped Tin Oxide Electrodes

Published on: January 30, 2015

11.9K

相关概念视频

Ladder Diagrams: Redox Equilibria01:30

Ladder Diagrams: Redox Equilibria

Ladder diagrams are useful tools for understanding redox equilibrium reactions, especially the effects of concentration changes on the electrochemical potential of the reaction. The vertical axis in the redox ladder diagrams represents the electrochemical potential, E. The area of predominance is demarcated using the Nernst equation.
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
458
Voltammetry: Factors Affecting Measurements01:21

Voltammetry: Factors Affecting Measurements

A current produced due to the redox reactions of the analyte at the working and auxiliary electrodes is called a faradaic current. The reaction can be divided into two types. The current generated due to the reduction of the analyte is called cathodic current, and it carries a positive charge. In contrast, the current produced by analyte oxidation is known as an anodic current, and it has a negative charge. The applied potential at the working electrode determines the faradaic current flow, and...
157
Redox Equilibria: Overview01:23

Redox Equilibria: Overview

A reduction-oxidation reaction is commonly called a redox reaction. In a redox reaction, electrons are transferred from one species to another rather than being shared between or among atoms. The reducing agent or reductant is the species that loses electrons and gets oxidized in the process. The species that gains electrons and gets reduced in the process is the oxidizing agent or oxidant. Redox reactions are represented as two separate equations called half-reactions, where one equation...
564
The Nernst Equation02:59

The Nernst Equation

Nonstandard Reaction Conditions
The interconnection between standard cell potentials and various thermodynamic parameters such as the standard free energy change ΔG° and equilibrium constant K has been previously explored. For example, a redox reaction involving zinc(II) and tin(II) ions at 1 M concentration with Eºcell = +0.291 V and ΔG° = −56.2 kJ is spontaneous.
40.8K
Standard Electrode Potentials03:02

Standard Electrode Potentials

On comparing the reactivity of silver and lead, it is observed that the two ionic species, Ag+ (aq) and Pb2+ (aq), show a difference in their redox reactivity towards copper: the silver ion undergoes spontaneous reduction, while the lead ion does not. This relative redox activity can be easily quantified in electrochemical cells by a property called cell potential. This property is commonly known as cell voltage in electrochemistry, and it is a measure of the energy which accompanies the charge...
43.9K
Balancing Redox Equations02:58

Balancing Redox Equations

Electrochemistry is the science involved in the interconversion of electrical and chemical reactions. Such reactions are called reduction-oxidation, or redox reactions. These important reactions are defined by changes in oxidation states for one or more reactant elements and include a subset of reactions involving the transfer of electrons between reactant species. Electrochemistry as a field has evolved to yield sufficient insights on the fundamental principles of redox chemistry and multiple...
52.2K