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Controlled-Potential Coulometry: Electrolytic Methods01:17

Controlled-Potential Coulometry: Electrolytic Methods

409
Controlled-potential coulometry, also known as potentiostatic coulometry, employs a three-electrode system in which the working electrode's potential is precisely regulated using a potentiostat. Platinum working electrodes are utilized for positive potentials, while mercury pool electrodes are favored for extremely negative potentials. The platinum counter electrode is separated from the analyte using a membrane or salt bridge to avoid interference in the analysis.
The chosen potential...
409
Potentiometry: Overview01:06

Potentiometry: Overview

3.3K
Potentiometry is an analytical technique that measures the potential difference between two electrodes in an electrochemical cell without drawing any significant current that could alter the solution's composition. This method employs an indicator electrode, which exchanges electrons with the analyte solution, and a reference electrode with a constant potential. Each electrode is immersed in a solution comprised of two half-cells. In a conventional setup, the reference electrode serves as...
3.3K
Standard Electrode Potentials03:02

Standard Electrode Potentials

47.0K
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...
47.0K
Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

555
A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
555
Controlled-Current Coulometry: Overview01:27

Controlled-Current Coulometry: Overview

420
Controlled current coulometry, also known as amperostatic coulometry, is a technique used in electrochemical analysis to measure the quantity of a substance through the controlled passage of current. It involves the application of a constant current to an electrochemical cell containing the analyte of interest. As the current flows through the cell, the analyte undergoes a redox reaction at the electrode surface, resulting in a charge transfer. By monitoring the time required for a certain...
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Calculations of Electric Potential II01:27

Calculations of Electric Potential II

2.0K
An electric dipole is a system of two equal but opposite charges, separated by a fixed distance. This system is used to model many real-world systems, including atomic and molecular interactions. One of these systems is the water molecule, but only under certain circumstances. These circumstances are met inside a microwave oven, where electric fields with alternating directions make the water molecules change orientation. This vibration is equivalent to heat at the molecular level.
Consider a...
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Related Experiment Video

Updated: Nov 9, 2025

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
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Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

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Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding.

Jun Oshiki1, Hiroshi Nakano1, Hirofumi Sato1

  • 1Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan.

The Journal of Chemical Physics
|April 16, 2021
PubMed
Summary
This summary is machine-generated.

A new quantum mechanical method models electrode surfaces in electrochemical cells efficiently. This approach improves upon classical methods for understanding interfacial properties and electronic responses under constant potential.

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Area of Science:

  • Computational Chemistry
  • Electrochemistry
  • Materials Science

Background:

  • Accurate modeling of electrode-electrolyte interfaces is crucial for understanding electrochemical systems.
  • Atomistic simulations require efficient methods that capture quantum mechanical electronic responses under constant potential.

Purpose of the Study:

  • To develop a computationally efficient, self-consistent-charge density functional tight-binding (SCC-DFTB) method for modeling electrodes under constant potential conditions.
  • To enable quantum mechanical descriptions of electrode electronic responses in large systems.

Main Methods:

  • A novel SCC-DFTB approach was developed, incorporating a Legendre transformation to handle the constant potential condition.
  • The method allows for variational derivation of Kohn-Sham equations for each electrode.
  • Applied to parallel platinum electrodes under applied voltage.

Main Results:

  • The SCC-DFTB method offers improved computational efficiency compared to ab initio density functional theory (DFT).
  • It provides a more accurate quantum mechanical description of electrode electronic responses than classical methods.
  • The electronic response of platinum electrodes was analyzed and compared to classical constant-potential simulations.

Conclusions:

  • The developed SCC-DFTB method provides an efficient and accurate quantum mechanical approach for modeling electrochemical interfaces.
  • This method facilitates the study of larger systems and detailed interfacial structures.
  • It enhances the understanding of electronic behavior at electrode surfaces in electrochemical cells.