On-surface synthesis of tailored organic platforms for single metal atoms

DOI

Recent advances in nanomaterials have pushed the boundaries of nanoscale fabrication to the limit of single atoms, particularly in heterogeneous catalysis. Single atom catalysts, comprising minute amounts of transition metals dispersed on inert substrates, have emerged as prominent materials in this domain. However, overcoming the tendency of these single atoms to cluster beyond cryogenic temperatures and precisely arranging them on surfaces with desired local environments pose significant challenges. Employing organic templates for orchestrating and modulating the activity of single atoms holds promise. In recent work, we introduce a novel single-atom platform wherein atoms are firmly anchored to specific coordination sites distributed along carbon-based polymers, synthesised via on-surface synthesis. These platforms exhibit atomic-level structural precision and stability, even at elevated temperatures. The asymmetry in the structure and electronic states at the active sites anticipates the enhanced reactivity of these precisely defined reactive centers. Upon exposure to CO and CO2 gases at low temperatures, the platform demonstrates excellent trapping and conversion capabilities. Fine-tuning the structure and properties of the coordination sites offers unparalleled flexibility in tailoring functionalities, thus opening avenues for previously untapped potential in catalytic applications. This record contains data that support the results presented in the published work.

Identifier
DOI https://doi.org/10.24435/materialscloud:yp-bp
Related Identifier https://doi.org/10.48550/arXiv.2409.13560
Related Identifier https://doi.org/10.1038/s41467-025-66171-3
Related Identifier https://renkulab.io/p/aiida/materials-cloud-archive/sessions/01JZAQ1T34GEE1S98BV1300FXY/start?archive_url=https://archive.materialscloud.org/api/records/sy3yy-qj193/files/calculations.aiida/content
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:gt-3s
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:sy3yy-qj193
Provenance
Creator Kinikar, Amogh; Xu, Xiushang; Onishi, Takatsugu; Ortega-Guerrero, Andres; Widmer, Roland; Zema, Nicola; Hogan, Conor; Camilli, Luca; Persichetti, Luca; Pignedoli, Carlo A.; Fasel, Roman; Narita, Akimitsu; Di Giovannantonio, Marco
Publisher Materials Cloud
Contributor Pignedoli, Carlo A.; Di Giovannantonio, Marco
Publication Year 2025
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format text/plain; application/gzip; application/octet-stream
Discipline Materials Science and Engineering