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Updated: Nov 18, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Xianpei Ren1, Qingbo Wei, Fei Wu
1School of Physics and Electronic Engineering, School of Computer Science and Engineering, Sichuan University of Science and Engineering, Zigong 643000, China. renxianpei@163.com.
A novel multi-interface catalyst, carbon nanotube/vanadium disulfide-molybdenum disulfide (CNT/VS2-MoS2), demonstrates superior electrocatalytic activity. This advancement offers a promising pathway for enhancing two-dimensional electrocatalyst performance.
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