Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface

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Main Author: Scott M. Simpson
Format: Article
Language:English
Published: American Chemical Society 2025-04-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.4c11197
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author Scott M. Simpson
author_facet Scott M. Simpson
author_sort Scott M. Simpson
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spelling doaj-art-35848d83380944cd8afd8bb3e23cefae2025-08-20T02:30:43ZengAmerican Chemical SocietyACS Omega2470-13432025-04-011018185611857010.1021/acsomega.4c11197Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy SurfaceScott M. Simpsonhttps://doi.org/10.1021/acsomega.4c11197
spellingShingle Scott M. Simpson
Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface
ACS Omega
title Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface
title_full Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface
title_fullStr Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface
title_full_unstemmed Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface
title_short Density Functional Theory Investigation of Simple N‑Heterocyclic Carbenes Adsorbed on the Pd/Cu(111) Single-Atom Alloy Surface
title_sort density functional theory investigation of simple n heterocyclic carbenes adsorbed on the pd cu 111 single atom alloy surface
url https://doi.org/10.1021/acsomega.4c11197
work_keys_str_mv AT scottmsimpson densityfunctionaltheoryinvestigationofsimplenheterocycliccarbenesadsorbedonthepdcu111singleatomalloysurface