ArticleACS physical chemistry Au2026
Phases and Architectures in Metal/Metal Oxide Systems Driven by Strong Metal-Support Interactions.
Article in ACS physical chemistry Au, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Metal oxide supported metal catalysts are widely applied in industrial processes. Many of these materials dynamically evolve under reducing atmospheres, leading to metal nanoparticles partially or fully encapsulated by metal oxide shells, impacting catalytic performance. This phenomenon is known as strong metal-support interaction (SMSI) and is thermodynamically driven. However, understanding the metal/metal oxide interfaces derived from the broad and flexible compositional space and the large structural changes in SMSI structures is difficult to monitor experimentally. Here, we use density functional theory together with machine learning interatomic potentials and global minima optimization to investigate SMSI by building a set of interfaces between common catalytic metals (Ni, Pd, Pt) and reducible metal oxides (r-TiO
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