Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Interfacial Electrochemical Methods: Overview01:06

Interfacial Electrochemical Methods: Overview

325
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...
325

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Autonomous Synthesis of Nanoparticles with Target Scattering Patterns.

ACS nano·2026
Same author

A foundation model for atomistic materials chemistry.

The Journal of chemical physics·2025
Same author

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits.

Journal of chemical theory and computation·2025
Same author

The Intricacies of Computational Electrochemistry.

ACS energy letters·2025
Same author

Activity-Selectivity Trends in Electrochemical Urea Synthesis: Co-Reduction of CO<sub>2</sub> and Nitrates Over Single-Site Catalysts.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)·2025
Same author

First-Principles Molecular Dynamics with Potential and Charge Fluctuations Applied to Au(111) in Alkaline Solutions.

Journal of chemical theory and computation·2025

相关实验视频

Updated: Aug 14, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

18.3K

在Au-Water接口的电还原

Xueping Qin1, Tejs Vegge1, Heine Anton Hansen1

  • 1Department of Energy Conversion and Storage, Technical University of Denmark, Kgs. Lyngby2800, Denmark.

Journal of the American Chemical Society
|January 11, 2023
PubMed
概括

离子通过促进二氧化碳的激活和抑制的演化,显著增强了电化学的二氧化碳降解. 这项研究为金水界面的反应提供了全面的自由能量图.

科学领域:

  • 电化学
  • 计算化学
  • 材料科学

背景情况:

  • 电化学二氧化碳减排 (CO2RR) 对清洁能源至关重要,但其机制,特别是电解质离子的作用,尚不清楚.
  • 金属离子对界面上的CO2RR的影响是有争议的,没有完整的自由能量图.
  • 了解这些因素对于优化CO2RR效率至关重要.

研究的目的:

  • 系统地研究CO2RR在水界面上的机制.
  • 阐明 (K+) 离子在二氧化碳激活和选择性中的特定作用.
  • 导出 CO2RR 和相应的演变反应 (HER) 的综合性自由能量图.

主要方法:

  • 一开始的分子动力学 (AIMD) 模拟.
  • 与AIMD (SG-AIMD) 集成的缓慢增长采样用于准确的自由能量计算.
  • 电化学接口的计算建模.

主要成果:

  • CO2RR在K+离子的内球接口上是容易的,显示CO2激活的低自由能量障碍.
  • 通过诱导动力阻塞效应来抑制竞争性HER,将Volmer步骤屏障提高到1. 27 eV.
  • 一个全面的自由能量图说明了CO2RR和HER的热力学和动力学.

更多相关视频

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
08:18

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

Published on: March 4, 2021

1.8K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.9K

相关实验视频

Last Updated: Aug 14, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

18.3K
Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
08:18

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

Published on: March 4, 2021

1.8K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.9K

结论:

  • 在提高二氧化碳电还原性能方面,酸起着至关重要的作用.
  • K+离子促进二氧化碳吸附和激活,同时抑制演变反应.
  • 这些发现为设计高效的CO2RR电催化剂提供了关键的机械见解.