Unraveling CO adsorption on model single-atom catalysts

doi:10.1126/science.abe5757

GSTDTAP > 气候变化

DOI	10.1126/science.abe5757
	Unraveling CO adsorption on model single-atom catalysts
	Jan Hulva; Matthias Meier; Roland Bliem; Zdenek Jakub; Florian Kraushofer; Michael Schmid; Ulrike Diebold; Cesare Franchini; Gareth S. Parkinson
	2021-01-22
发表期刊	Science
出版年	2021
英文摘要	Noble metals often perform best for demanding reactions such as oxygen reduction, an effect often explained by the position of their d-band. One way to minimize the cost of noble metals is to disperse them as single atoms. To model the reactivity of supported single atoms, Hulva et al. evaporated different transition metals such as nickel, silver, and iridium on an Fe3O4(001) support. Single atoms adsorbed in the same twofold site between underlying rows of surface iron atoms. In studies of CO adsorption as a proxy for reactivity, the d-band was strongly affected by the charge transfer to the support and CO-induced structural changes. These effects can weaken the adsorption energy compared with the expected values based on electronic structure alone. Science , this issue p. [375][1] Understanding how the local environment of a “single-atom” catalyst affects stability and reactivity remains a challenge. We present an in-depth study of copper1, silver1, gold1, nickel1, palladium1, platinum1, rhodium1, and iridium1 species on Fe3O4(001), a model support in which all metals occupy the same twofold-coordinated adsorption site upon deposition at room temperature. Surface science techniques revealed that CO adsorption strength at single metal sites differs from the respective metal surfaces and supported clusters. Charge transfer into the support modifies the d-states of the metal atom and the strength of the metal–CO bond. These effects could strengthen the bond (as for Ag1–CO) or weaken it (as for Ni1–CO), but CO-induced structural distortions reduce adsorption energies from those expected on the basis of electronic structure alone. The extent of the relaxations depends on the local geometry and could be predicted by analogy to coordination chemistry. [1]: /lookup/doi/10.1126/science.abe5757
领域	气候变化 ; 资源环境
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文献类型	期刊论文
条目标识符	http://119.78.100.173/C666/handle/2XK7JSWQ/312363
专题	气候变化资源环境科学
推荐引用方式 GB/T 7714	Jan Hulva,Matthias Meier,Roland Bliem,et al. Unraveling CO adsorption on model single-atom catalysts[J]. Science,2021.
APA	Jan Hulva.,Matthias Meier.,Roland Bliem.,Zdenek Jakub.,Florian Kraushofer.,...&Gareth S. Parkinson.(2021).Unraveling CO adsorption on model single-atom catalysts.Science.
MLA	Jan Hulva,et al."Unraveling CO adsorption on model single-atom catalysts".Science (2021).