@article{Guan2025, 
author = {Yichi Guan and Jingxiu Liu and Pengcheng Liu and Jin Zhang and Yanyi Liu and Jingwen Zhang and Zhonghong Xia and Xijun Liu and Jia He},
title = {Electrocatalysis informatics assisted design of highly disordered ternary alloy aerogel for efficient methanol oxidation},
year = {2025},
journal = {Nano Research Energy},
volume = {4},
pages = {e9120167},
keywords = {electrocatalysis informatics, methanol oxidation reaction, direct methanol fuel cells, highly disordered ternary alloy},
url = {https://www.sciopen.com/article/10.26599/NRE.2025.9120167},
doi = {10.26599/NRE.2025.9120167},
abstract = {The rational design of advanced methanol oxidation reaction (MOR) electrocatalysts can significantly enhance the catalytic activity and performance of direct methanol fuel cells (DMFCs). Herein, the electrocatalysis informatics-assisted design electrocatalysts for MOR is firstly conducted by combining machine learning based on 616 experimental data points with first-principles calculations. Guided by this theoretical insight, a highly disordered PtRuPd alloy aerogel is prepared via a facile one-pot synthetic strategy. The obtained electrocatalyst demonstrates excellent mass activity of 2.42 A·mgPt−1 and specific activity of 7.13 mA·cm−2 for MOR, which is considerably higher than that of most Pt-based catalysts. The self-supported ultrathin anode catalyst layer (~6.3 μm) integrated into a membrane electrode assembly exhibits the mass-specific power density of 92.9 W·gPt−1 at 65 °C for DMFC operation, surpassing that of recently reported Pt-based catalysts. This work offers a promising approach to exploring a digitalization and intelligent cross-scale design route for MOR electrocatalysts.}
}