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Sabatier principle of metal-support interaction for design of ultrastable metal nanocatalysts
Science ( IF 56.9 ) Pub Date : 2021-11-04 , DOI: 10.1126/science.abi9828
Sulei Hu 1 , Wei-Xue Li 1
Affiliation  

The stability of supported nanocatalysts is crucial to meet environmental and energy challenges and necessitates fundamental theory to relieve trial-and-error experimentation and accelerate lab-to-fab translation. Here, we report a Sabatier principle of metal-support interaction for stabilizing metal nanocatalysts against sintering based on the kinetic simulations of 323 metal-support pairs using scaling relations from 1252 energetics data. Too strong of an interaction is shown to trigger Ostwald ripening, whereas too weak of an interaction stimulates particle migration and coalescence. High-throughput screening of supports enables the sintering resistance of nanocatalysts reaching the Tammann temperature on homogeneous supports and far beyond it on heteroenergetic supports. This theory substantiated by the first-principles neural network molecular dynamics simulations and experiments paves the way for design of ultrastable nanocatalysts.

中文翻译:

用于设计超稳定金属纳米催化剂的金属-载体相互作用的 Sabatier 原理

负载型纳米催化剂的稳定性对于应对环境和能源挑战至关重要,需要基础理论来减轻试错实验并加速实验室到晶圆厂的转化。在这里,我们使用来自 1252 个能量学数据的比例关系,基于 323 个金属-载体对的动力学模拟,报告了金属-载体相互作用的 Sabatier 原理,用于稳定金属纳米催化剂以防止烧结。相互作用太强会触发奥斯特瓦尔德熟化,而相互作用太弱会刺激粒子迁移和聚结。载体的高通量筛选使纳米催化剂的烧结阻力在均质载体上达到塔曼温度,而在异能载体上则远远超过该温度。
更新日期:2021-11-05
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