相关实验视频

Updated: Jun 11, 2025

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

在丰富的化纳米板上对单原子过渡金属进行计算选,以在所有pH范围内进行高效的进化催化

Yuhua Wei¹, Feng Gao², Jiantao Yuan²

¹Department of Physics, International Centre of Quantum and Molecular Structures, Shanghai University, Shanghai 200444, China.

The Journal of chemical physics

|October 9, 2024

概括

我们在二维化 (B-N) 材料上设计了单原子催化剂,用于高效的演化反应 (HER). 这些催化剂在各种pH值水平上表现出色,提供有希望的,具有成本效益的解决方案.

科学领域:

材料科学材料科学材料科学
催化剂是一种催化剂.
计算化学计算化学

背景情况:

低成本,高效率的催化剂对于电催化演化反应 (HER) 是必不可少的.
二维 (2D) 化 (B-N) 化合物对HER催化具有有前途的电子特性.
在B-N支上开发单原子催化剂 (SAC) 是增强催化活性的关键策略.

研究的目的:

以计算机辅助设计基于2D B-N单层的新型单原子催化剂 (SAC),以提高 HER 的性能.
理论上研究过渡金属兴奋剂和pH调节对HER活性的影响.
为了确定具有良好的催化活性,在广泛的pH范围内具有成本效益的SAC.

主要方法:

使用第一原则计算来设计和分析SAC.
在B2N,B5N3和B7N5单层上支持3d,4d和5d过渡金属的孤立单个原子.
在不同的pH条件下,评估了各种SAC的电子特性和催化活性.

主要成果:

在B-N表面的过渡金属兴奋剂显著提高了HER在广泛的pH范围内的催化性能.
特定的SAC在酸性 (例如,Co@B2N,Ti@B2N) 和性条件下 (例如,Mo@B2N,Ti@B7N5) 显示出出色的活性.
在酸性,中性和性条件下,Hf@B2N和V@B5N3系统表现出有前途的催化活性.

结论:

2D B-N 支持的过渡金属 SAC 是 HER 的有效电催化剂.
设计的SAC在广泛的pH频谱中提供可调节的催化活性.
这项研究为具有广泛pH范围的理想电催化剂提供了具有成本效益的候选者.

更多相关视频

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

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

Published on: April 10, 2018

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions

A Simple, Low-cost, and Robust System to Measure the Volume of Hydrogen Evolved by Chemical Reactions with Aqueous Solutions

Published on: August 17, 2016

相关概念视频

Hydroboration-Oxidation of Alkenes

Hydroboration-Oxidation of Alkenes

In addition to the oxymercuration–demercuration method, which converts the alkenes to alcohols with Markovnikov orientation, a complementary hydroboration-oxidation method yields the anti-Markovnikov product. The hydroboration reaction, discovered in 1959 by H.C. Brown, involves the addition of a B–H bond of borane to an alkene giving an organoborane intermediate. The oxidation of this intermediate with basic hydrogen peroxide forms an alcohol.