Supporting Information
| Supporting Information File 1: The Supporting Information contains the following material: electron density difference upon adsorption of NHC over a clean and a NH2-decorated surface; electron density difference upon adsorption of NH2 and NH3; calculated populations and stored energies of all vibrational modes using a smaller damping parameter J; all emission and absorption rates as a function of bias for two modes (35 meV and 176 meV) for the C structure; change in the stored energy associated to the adsorbate DOS; a picture of the vibrational mode at 176 meV for the CA structure. | ||
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Cite the Following Article
Adsorbate-driven cooling of carbene-based molecular junctions
Giuseppe Foti and Héctor Vázquez
Beilstein J. Nanotechnol. 2017, 8, 2060–2068.
https://doi.org/10.3762/bjnano.8.206
How to Cite
Foti, G.; Vázquez, H. Beilstein J. Nanotechnol. 2017, 8, 2060–2068. doi:10.3762/bjnano.8.206
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Scholarly Works
- Lee, D. S.; Singh, I.; Veinot, A. J.; Aloisio, M. D.; Lomax, J. T.; Ragogna, P. J.; Crudden, C. M. Mesoionic carbene-based self-assembled monolayers on gold. Chemical science 2024, 15, 2480–2485. doi:10.1039/d3sc04720b
- Inayeh, A.; Groome, R.; Singh, I.; Veinot, A.; de Lima, F. C.; Miwa, R. H.; Crudden, C. M.; McLean, A. B. Self-assembly of N-heterocyclic carbenes on Au(111). Nature communications 2021, 12, 1–9. doi:10.1038/s41467-021-23940-0
- Zimbovskaya, N. A.; Nitzan, A. Energy, Work, Entropy, and Heat Balance in Marcus Molecular Junctions. The journal of physical chemistry. B 2020, 124, 2632–2642. doi:10.1021/acs.jpcb.0c00059
- Smith, C. A.; Narouz, M. R.; Lummis, P. A.; Singh, I.; Nazemi, A.; Li, C.-H.; Crudden, C. M. N-Heterocyclic Carbenes in Materials Chemistry. Chemical reviews 2019, 119, 4986–5056. doi:10.1021/acs.chemrev.8b00514
- Foti, G.; Vázquez, H. Origin of Vibrational Instabilities in Molecular Wires with Separated Electronic States. The journal of physical chemistry letters 2018, 9, 2791–2796. doi:10.1021/acs.jpclett.8b00940
