Nature of metal-support interaction for metal catalysts on oxide supports

IF 44.7 1区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Science Pub Date : 2024-11-21 DOI:10.1126/science.adp6034

Tairan Wang, Jianyu Hu, Runhai Ouyang, Yutao Wang, Yi Huang, Sulei Hu, Wei-Xue Li

引用次数: 0

Abstract

The metal-support interaction is one of the most important pillars in heterogeneous catalysis, but developing a fundamental theory has been challenging because of the intricate interfaces. Based on experimental ‎data, interpretable machine learning, theoretical derivation, and first-principles simulations, we established a ‎general theory of metal-oxide interactions grounded in ‎metal-metal and metal-oxygen interactions. The theory applies to metal nanoparticles and atoms on oxide supports and oxide films on metal supports. We found that for late-transition metal catalysts, metal-metal interactions dominated the oxide support effects and suboxide encapsulation over metal nanoparticles. A principle of strong metal-metal interactions for encapsulation occurrence is formulated and substantiated by extensive ‎experiments including 10 metals and 16 ‎oxides. The valuable insights revealed on (strong) metal-support interaction advance the interfacial design of supported metal catalysts.

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氧化物载体上金属催化剂的金属-载体相互作用性质。

金属与支撑物的相互作用是异相催化中最重要的支柱之一，但由于界面错综复杂，建立基础理论一直是一项挑战。基于实验数据、可解释的机器学习、理论推导和第一原理模拟，我们建立了以金属-金属和金属-氧相互作用为基础的金属-氧化物相互作用的一般理论。该理论适用于氧化物载体上的金属纳米粒子和原子，以及金属载体上的氧化物薄膜。我们发现，对于晚跃迁金属催化剂，金属-金属相互作用在氧化物支撑效应和金属纳米粒子上的亚氧化物封装中占主导地位。通过包括 10 种金属和 16 种氧化物在内的大量实验，我们提出并证实了发生封装的强金属-金属相互作用原理。关于（强）金属-支撑相互作用的宝贵见解推动了支撑金属催化剂的界面设计。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Science 综合性期刊-综合性期刊

CiteScore

61.10

自引率

0.90%

发文量

审稿时长

2.1 months

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