Outputs (18)

Experimental Demonstration of a Spectral Fingerprint for the Saddle and Inverted Conformations of Porphyrins on Copper (2025)
Journal Article
S. Frampton, E., Gray, A., Clarke, M., Edmondson, M., Bradford, J., A. Duncan, D., & Saywell, A. (2025). Experimental Demonstration of a Spectral Fingerprint for the Saddle and Inverted Conformations of Porphyrins on Copper. Journal of Physical Chemistry Letters, 16(20), 5012–5017. https://doi.org/10.1021/acs.jpclett.5c00498

Combined density functional theory (DFT) and X-ray standing wave (XSW) studies have previously provided evidence for the preferential adoption of an inverted conformation of 2H-TPP on Cu(111) in contrast to the saddle conformation usually favored by... Read More about Experimental Demonstration of a Spectral Fingerprint for the Saddle and Inverted Conformations of Porphyrins on Copper.

d10s2 Post-Transition Metal Anions: Identifying and Analyzing Their Dual-Mode Lewis Basicity (2025)
Journal Article
Seymour, J. M., Gousseva, E., Parker, L. G., Towers Tompkins, F. K., Fogarty, R. M., Frankemoelle, L., Rowe, R., Clarke, C. J., Duncan, D. A., Palgrave, R. G., Bennett, R. A., Hunt, P. A., & Lovelock, K. R. J. (in press). d10s2 Post-Transition Metal Anions: Identifying and Analyzing Their Dual-Mode Lewis Basicity. Journal of Physical Chemistry Letters, 16(11), 2831-2836. https://doi.org/10.1021/acs.jpclett.4c03649

Liquid-phase d10s2 post-transition metal anions, such as [SnCl3]−, appear in a range of applications with a focus on catalysis and material preparation. However, little is known about their electronic structure and how it relates to reactivity. Using... Read More about d10s2 Post-Transition Metal Anions: Identifying and Analyzing Their Dual-Mode Lewis Basicity.

Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures (2024)
Journal Article
Preobrajenski, A., Vinogradov, N., Duncan, D. A., Lee, T.-L., Tsitsvero, M., Taketsugu, T., & Lyalin, A. (2024). Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures. Nature Communications, 15(1), Article 10518. https://doi.org/10.1038/s41467-024-54464-y

The synthesis of large, freestanding, single-atom-thick two-dimensional (2D) metallic materials remains challenging due to the isotropic nature of metallic bonding. Here, we present a bottom-up approach for fabricating macroscopically large, nearly f... Read More about Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures.

Holistic structural understanding of epitaxially-grown Bi/Au(111) moiré superstructures (2024)
Journal Article
Vezzoni Vicente, P., Weiss, T., Meier, D., Zhao, W., Tömekçe, B. S., G. Cuxart, M., Klein, B. P., Duncan, D. A., Lee, T. L., Papageorgiou, A. C., Muntwiler, M., Seitsonen, A. P., Auwärter, W., Feulner, P., Barth, J. V., & Allegretti, F. (2024). Holistic structural understanding of epitaxially-grown Bi/Au(111) moiré superstructures. Physical Review Materials, 8(10), Article 104001. https://doi.org/10.1103/physrevmaterials.8.104001

In light of the recent research interest in low-dimensional bismuth structures as spin-active materials and topological insulators, we present a comprehensive characterization of the Bi/Au(111) interface. The nuanced evolution of Bi phases upon depos... Read More about Holistic structural understanding of epitaxially-grown Bi/Au(111) moiré superstructures.

Quantitative Measurement of Cooperative Binding in Partially Dissociated Water Dimers at the Hematite “R-Cut” Surface (2024)
Journal Article
Ryan, P. T., Sombut, P., Rafsanjani-Abbasi, A., Wang, C., Eratam, F., Goto, F., Franchini, C., Diebold, U., Meier, M., Duncan, D. A., & Parkinson, G. S. (2024). Quantitative Measurement of Cooperative Binding in Partially Dissociated Water Dimers at the Hematite “R-Cut” Surface. Journal of Physical Chemistry C, 128(40), 16977-16985. https://doi.org/10.1021/acs.jpcc.4c04537

Water-solid interfaces pervade the natural environment and modern technology. On some surfaces, water-water interactions induce the formation of partially dissociated interfacial layers; understanding why is important to model processes in catalysis... Read More about Quantitative Measurement of Cooperative Binding in Partially Dissociated Water Dimers at the Hematite “R-Cut” Surface.

Structure Determination of F4TCNQ on Ag(111): A Systematic Trend in Metal Adatom Incorporation (2024)
Journal Article
Hobson, A. L., Hussain, H., Mousley, P. J., Duncan, D. A., Braim, M., Costantini, G., Nicklin, C., & Woodruff, D. P. (2024). Structure Determination of F4TCNQ on Ag(111): A Systematic Trend in Metal Adatom Incorporation. ACS Omega, 9(29), 32193-32200. https://doi.org/10.1021/acsomega.4c04860

A structure determination of the commensurate phase formed by 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane (F4TCNQ) absorbed on Ag(111) is reported. Initial characterization was performed using low-energy electron diffraction and synchrotron... Read More about Structure Determination of F4TCNQ on Ag(111): A Systematic Trend in Metal Adatom Incorporation.

Structure of Graphene Grown on Cu(111): X-Ray Standing Wave Measurement and Density Functional Theory Prediction (2024)
Journal Article
Stoodley, M. A., Rochford, L. A., Lee, T.-L., Klein, B. P., Duncan, D. A., & Maurer, R. J. (2024). Structure of Graphene Grown on Cu(111): X-Ray Standing Wave Measurement and Density Functional Theory Prediction. Physical Review Letters, 132(19), Article 196201. https://doi.org/10.1103/physrevlett.132.196201

We report the quantitative adsorption structure of pristine graphene on Cu(111) determined using the normal incidence x-ray standing wave technique. The experiments constitute an important benchmark reference for the development of density functional... Read More about Structure of Graphene Grown on Cu(111): X-Ray Standing Wave Measurement and Density Functional Theory Prediction.

Group A Streptococcus induces CD1a-autoreactive T cells and promotes psoriatic inflammation (2023)
Journal Article
Chen, Y.-L., Ng, J. S. W., Ottakandathil Babu, R., Woo, J., Nahler, J., Hardman, C. S., Kurupati, P., Nussbaum, L., Gao, F., Dong, T., Ladell, K., Price, D. A., Duncan, D. A., Johnson, D., Gileadi, U., Koohy, H., & Ogg, G. S. (2023). Group A Streptococcus induces CD1a-autoreactive T cells and promotes psoriatic inflammation. Science Immunology, 8(84), https://doi.org/10.1126/sciimmunol.add9232

Group A Streptococcus (GAS) infection is associated with multiple clinical sequelae, including different subtypes of psoriasis. Such post-streptococcal disorders have been long known but are largely unexplained. CD1a is expressed at constitutively hi... Read More about Group A Streptococcus induces CD1a-autoreactive T cells and promotes psoriatic inflammation.

Donor–Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali–Organic Networks on Ag(100) (2023)
Journal Article
Sohail, B., Blowey, P. J., Rochford, L. A., Ryan, P. T., Duncan, D. A., Lee, T. L., Starrs, P., Costantini, G., Woodruff, D. P., & Maurer, R. J. (2023). Donor–Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali–Organic Networks on Ag(100). Journal of Physical Chemistry C, 127(5), 2716-2727. https://doi.org/10.1021/acs.jpcc.2c08688

The results are presented of a detailed combined experimental and theoretical investigation of the influence of coadsorbed electron-donating alkali atoms and the prototypical electron acceptor molecule 7,7,8,8-tetracyanoquinodimethane (TCNQ) on the A... Read More about Donor–Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali–Organic Networks on Ag(100).

N-Heterocyclic Carbenes: Molecular Porters of Surface Mounted Ru-Porphyrins (2022)
Journal Article
Knecht, P., Meier, D., Reichert, J., Duncan, D. A., Schwarz, M., Küchle, J. T., Lee, T., Deimel, P. S., Feulner, P., Allegretti, F., Auwärter, W., Médard, G., Seitsonen, A. P., Barth, J. V., & Papageorgiou, A. C. (2022). N-Heterocyclic Carbenes: Molecular Porters of Surface Mounted Ru-Porphyrins. Angewandte Chemie International Edition, 61(49), Article e202211877. https://doi.org/10.1002/anie.202211877

Ru-porphyrins act as convenient pedestals for the assembly of N-heterocyclic carbenes (NHCs) on solid surfaces. Upon deposition of a simple NHC ligand on a close packed Ru-porphyrin monolayer, an extraordinary phenomenon can be observed: Ru-porphyrin... Read More about N-Heterocyclic Carbenes: Molecular Porters of Surface Mounted Ru-Porphyrins.