Surface steric effect in heterogeneous catalysis as the origin of the high activity induced by strong metal-support interactions

作者：Gerardo Valadez Huerta, Kaoru Hisama, Katsutoshi Sato, Katsutoshi Nagaoka, Michihisa Koyama · 发表于：iScience · 年份：2025 · DOI：10.1016/j.isci.2025.112470 · 被引用次数：5 · 研究领域：Machine Learning in Materials Science、Catalytic Processes in Materials Science、Catalysis and Oxidation Reactions

molecules sandwiched between decoration cations on a nanoparticle near the support exhibited a low activation barrier. Our theoretical approach represents a major advancement in bridging the gap between simulation and empirical data and in our understanding of complex supported nanoparticle catalysts.