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Updated: Jun 24, 2025

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

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一个通用的电子结构调制策略:强吸附总是与高催化相关吗?

Mengyu Liu1,2,3, Ruohan Hou1,2,3, Pengpeng Zhang1,2,3

  • 1School of Materials Science and Engineering, Zhengzhou University, Zhengzhou, 450001, China.

Small (Weinheim an der Bergstrasse, Germany)
|June 5, 2024
PubMed
概括

了解聚硫化物吸附和催化之间的联系对于高性能硫 (Li-S) 电池至关重要. 这项研究表明,中度吸附,而不是强度,优化了Li-S电池电催化剂的催化活性.

关键词:
这种电池是LiS电池.根据"安息日原则" (Sabatier Principle) 的说法,一个人可以在星期一休息.在d-band中心理论中,电力旋转是指电力旋转.层次性的多孔结构结构.

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