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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/165657
Subsurface carbon: a general feature of noble metals
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Carbon moieties on late transition metals are regarded as poisoning agents in heterogeneous catalysis. Recent studies show the promoting catalytic role of subsurface C atoms in Pd surfaces and their existence in Ni and Pt surfaces. Here energetic and kinetic evidence obtained by accurate simulations on surface and nanoparticle models shows that such subsurface C species are a general issue to consider even in coinage noble-metal systems. Subsurface C is the most stable situation in densely packed (111) surfaces of Cu and Ag, with sinking barriers low enough to be overcome at catalytic working temperatures. Low-coordinated sites at nanoparticle edges and corners further stabilize them, even in Au, with negligible subsurface sinking barriers. The malleability of low-coordinated sites is key in the subsurface C accommodation. The incorporation of C species decreases the electron density of the surrounding metal atoms, thus affecting their chemical and catalytic activity.
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PIQUÉ, Oriol, et al. Subsurface carbon: a general feature of noble metals. Angewandte Chemie-International Edition. 2019. Vol. 58, num. 6, pags. 1744-1748. ISSN 1433-7851. [consulted: 17 of June of 2026]. Available at: https://hdl.handle.net/2445/165657