Resonant core spectroscopies of the charge transfer interactions between C60 and the surfaces of Au(111), Ag(111), Cu(111) and Pt(111)

Gibson, Andrew J.; Temperton, Robert H.; O'Shea, James N.; Handrup, Karsten

doi:10.1016/j.susc.2016.11.009

Porphyrin-fused graphene nanoribbons (2024)
Journal Article
Chen, Q., Lodi, A., Zhang, H., Gee, A., Wang, H. I., Kong, F., …Anderson, H. L. (2024). Porphyrin-fused graphene nanoribbons. Nature Chemistry, https://doi.org/10.1038/s41557-024-01477-1

Graphene nanoribbons (GNRs), nanometre-wide strips of graphene, are promising materials for fabricating electronic devices. Many GNRs have been reported, yet no scalable strategies are known for synthesizing GNRs with metal atoms and heteroaromatic u... Read More about Porphyrin-fused graphene nanoribbons.

Structure and chemical composition of the Mg electrode during cycling in a simple glyme electrolyte (2024)
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Dimogiannis, K., Sankowski, A., Holc, C., Parmenter, C. D., Newton, G. N., Walsh, D. A., …Johnson, L. R. (2024). Structure and chemical composition of the Mg electrode during cycling in a simple glyme electrolyte. Energy Storage Materials, 67, Article 103280. https://doi.org/10.1016/j.ensm.2024.103280

The volumetric energy density of magnesium exceeds that of lithium, making magnesium batteries particularly promising for next-generation energy storage. However, electrochemical cycling of magnesium electrodes in common battery electrolytes is coulo... Read More about Structure and chemical composition of the Mg electrode during cycling in a simple glyme electrolyte.

Template‐Directed Synthesis of Strained meso‐meso‐Linked Porphyrin Nanorings (2024)
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Van Raden, J. M., Deng, J., Gotfredsen, H., Hergenhahn, J., Clarke, M., Edmondson, M., …Anderson, H. L. (2024). Template‐Directed Synthesis of Strained meso‐meso‐Linked Porphyrin Nanorings. Angewandte Chemie International Edition, Article e202400103. https://doi.org/10.1002/anie.202400103

Strained macrocycles display interesting properties, such as conformational rigidity, often resulting in enhance π‐conjugation or enhanced affinity for non‐covalent guest binding, yet they can be difficult to synthesize. Here we use computational mod... Read More about Template‐Directed Synthesis of Strained meso‐meso‐Linked Porphyrin Nanorings.

Wafer-Scale Two-Dimensional Semiconductors for Deep UV Sensing (2023)
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Shiffa, M., Dewes, B. T., Bradford, J., Cottam, N. D., Cheng, T. S., Mellor, C. J., …Patanè, A. (2024). Wafer-Scale Two-Dimensional Semiconductors for Deep UV Sensing. Small, 20(7), Article 2305865. https://doi.org/10.1002/smll.202305865

2D semiconductors (2SEM) can transform many sectors, from information and communication technology to healthcare. To date, top‐down approaches to their fabrication, such as exfoliation of bulk crystals by “scotch‐tape,” are widely used, but have limi... Read More about Wafer-Scale Two-Dimensional Semiconductors for Deep UV Sensing.

The adsorption and XPS of triphenylamine-based organic dye molecules on rutile TiO2(110) prepared by UHV-compatible electrospray deposition (2023)
Journal Article
Alharbi, N., Hart, J., & O'Shea, J. N. (2023). The adsorption and XPS of triphenylamine-based organic dye molecules on rutile TiO2(110) prepared by UHV-compatible electrospray deposition. Surface Science, 735, Article 122323. https://doi.org/10.1016/j.susc.2023.122323

We present an X-ray photoelectron spectroscopy (XPS) study of a series of organic triphenylamine-based organic dye molecules (D5, SC4 and R6) deposited onto an atomically clean TiO2(110) single crystal surface by vacuum-compatible electrospray deposi... Read More about The adsorption and XPS of triphenylamine-based organic dye molecules on rutile TiO2(110) prepared by UHV-compatible electrospray deposition.

Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces (2023)
Journal Article
Allen, A., Abdur Rashid, M., Rahe, P., Jarvis, S. P., O'Shea, J. N., Dunn, J. L., & Moriarty, P. (2023). Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces. Molecular Physics, 121(7-8), Article e2192824. https://doi.org/10.1080/00268976.2023.2192824

Submolecular resolution scanning tunnelling microscopy and qPlus atomic force microscopy reveal that, close to thermal equilibrium, bi-isonicotinic acid (4,4'-COOH-2,2'-bpy) assembles into extended molecular rows on both Au(111) and Ag(100) surfaces,... Read More about Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces.

On-surface polymerisation and self-assembly of DPP-based molecular wires (2023)
Journal Article
Clarke, M., Bellamy-Carter, A., Malagreca, F., Hart, J., Argent, S. P., O'Shea, J. N., …Saywell, A. (2023). On-surface polymerisation and self-assembly of DPP-based molecular wires. Molecular Systems Design and Engineering, https://doi.org/10.1039/d2me00232a

The incorporation of organic semiconducting materials within solid-state electronic devices provides a potential route to highly efficient photovoltaics, transistors, and light emitting diodes. Key to the realisation of such devices is efficient intr... Read More about On-surface polymerisation and self-assembly of DPP-based molecular wires.

Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response (2022)
Journal Article
Wadge, M. D., Bird, M. A., Sankowski, A., Constantin, H., Fay, M. W., Cooper, T. P., …Grant, D. M. (2023). Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response. Advanced Materials Interfaces, 10(5), Article 2201523. https://doi.org/10.1002/admi.202201523

This study describes the chemical conversion and heat treatment of Ti6Al4V microspheres (Ti6_MS), and the resulting effects on their electrocatalytic properties. The wet-chemical conversion (5.0m NaOH, 60°C, 24h; Sample label: Ti6_TC) converts the to... Read More about Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response.

Bending a photonic wire into a ring (2022)
Journal Article
Gotfredsen, H., Deng, J. R., Van Raden, J. M., Righetto, M., Hergenhahn, J., Clarke, M., …Anderson, H. L. (2022). Bending a photonic wire into a ring. Nature Chemistry, https://doi.org/10.1038/s41557-022-01032-w

Natural light-harvesting systems absorb sunlight and transfer its energy to the reaction centre, where it is used for photosynthesis. Synthetic chromophore arrays provide useful models for understanding energy migration in these systems. Research has... Read More about Bending a photonic wire into a ring.

A soft x-ray probe of a titania photoelectrode sensitized with a triphenylamine dye (2021)
Journal Article
Temperton, R. H., Hart, J., Verykokkos, N., Gibson, E., & O’Shea, J. N. (2021). A soft x-ray probe of a titania photoelectrode sensitized with a triphenylamine dye. Journal of Chemical Physics, 154(23), 1-9. https://doi.org/10.1063/5.0050531

We present a thorough soft x-ray photoelectron spectroscopy (XPS) study of a mesoporous titanium dioxide electrode sensitized with the dye 4-(diphenylamino)phenylcyanoacrylic acid, referred to as “L0.” Supported by calculations, the suite of XPS, x-r... Read More about A soft x-ray probe of a titania photoelectrode sensitized with a triphenylamine dye.

An in situ exploration of subsurface defect migration to a liquid water?exposed rutile TiO2(110) surface by XPS (2020)
Journal Article
Ahmed, M. H. M., Temperton, R. H., & O'Shea, J. N. (2021). An in situ exploration of subsurface defect migration to a liquid water?exposed rutile TiO2(110) surface by XPS. Surface and Interface Analysis, 53(12), 1013-1019. https://doi.org/10.1002/sia.6906

The ability of titanium dioixide to split water into OH? and H+ species is heavily dependent on the behaviour of defects in the crystal structure at or near the surface. We present an in situ study of defect migration in rutile TiO2(110) conducted us... Read More about An in situ exploration of subsurface defect migration to a liquid water?exposed rutile TiO2(110) surface by XPS.

Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule (2019)
Journal Article
Temperton, R. H., Skowron, S. T., Handrup, K., Gibson, A. J., Nicolaou, A., Jaouen, N., …O’Shea, J. N. (2019). Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule. Journal of Chemical Physics, 151(7), 1-9. https://doi.org/10.1063/1.5114692

N 1s Resonant Inelastic X-ray Scattering (RIXS) was used to probe the molecular electronic structure of the ruthenium photosensitizer complex cis-bis(isothiocyanato) bis(2,2′-bipyridyl-4,4′-dicarboxylato) ruthenium(II), known as “N3.” In order to int... Read More about Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule.

Hybrid light emitting diodes based on stable, high brightness all-inorganic CsPbI 3 perovskite nanocrystals and InGaN (2019)
Journal Article
Zhang, C., Turyanska, L., Cao, H., Zhao, L., Fay, M. W., Temperton, R., …Patanè, A. (2019). Hybrid light emitting diodes based on stable, high brightness all-inorganic CsPbI 3 perovskite nanocrystals and InGaN. Nanoscale, 11(28), 13450-13457. https://doi.org/10.1039/C9NR03707A

Despite important advances in the synthesis of inorganic perovskite nanocrystals (NCs), the long-term instability and degradation of their quantum yield (QY) over time need to be addressed to enable the further development and exploitation of these n... Read More about Hybrid light emitting diodes based on stable, high brightness all-inorganic CsPbI 3 perovskite nanocrystals and InGaN.

Design and optical characterisation of an efficient light trapping structure for dye-sensitized solar cell integrated windows (2018)
Journal Article
Knott, A., Liu, X., Makarovskiy, O., O'Shea, J., Tuck, C., & Wu, Y. (2019). Design and optical characterisation of an efficient light trapping structure for dye-sensitized solar cell integrated windows. Building Simulation, 12(1), 41-49. https://doi.org/10.1007/s12273-018-0485-1

Windows integrated with semi-transparent photovoltaics (PVs) such as Dye-Sensitized Solar Cells (DSSCs) show good potential in improving building performance, in term of providing daylight, reducing unnecessary solar heat gain and also generating ele... Read More about Design and optical characterisation of an efficient light trapping structure for dye-sensitized solar cell integrated windows.

Ultra-fast intramolecular vibronic coupling revealed by RIXS and RPES maps of an aromatic adsorbate on TiO2(110) (2018)
Journal Article
O'Shea, J. N., Handrup, K., Temperton, R. H., Gibson, A. J., Nicolaou, A., Jaouen, N., …Schnadt, J. (2018). Ultra-fast intramolecular vibronic coupling revealed by RIXS and RPES maps of an aromatic adsorbate on TiO2(110). Journal of Chemical Physics, 148(20), Article 204705. https://doi.org/10.1063/1.5024862

Two-dimensional resonant inelastic x-ray scattering (RIXS) and resonant photoelectron spectroscopy (RPES) maps are presented for multilayer and monolayer coverages of an aromatic molecule (bi-isonicotinic acid) on the rutile TiO2(110) single crystal... Read More about Ultra-fast intramolecular vibronic coupling revealed by RIXS and RPES maps of an aromatic adsorbate on TiO2(110).

Exploring ultra-fast charge transfer and vibronic coupling with N 1s RIXS maps of an aromatic molecule coupled to a semiconductor (2017)
Journal Article
O'Shea, J. N., Handrup, K., Temperton, R. H., Gibson, A. J., Nicolaou, A., & Jaouen, N. (in press). Exploring ultra-fast charge transfer and vibronic coupling with N 1s RIXS maps of an aromatic molecule coupled to a semiconductor. Journal of Chemical Physics, 147(13), Article 134705. https://doi.org/10.1063/1.4999135

We present for the first time two-dimensional resonant inelastic x-ray scattering (RIXS) maps of multilayer and monolayer biisonicotinic acid adsorbed on the rutile TiO2(110) single crystal surface. This enables the elastic channel to be followed ove... Read More about Exploring ultra-fast charge transfer and vibronic coupling with N 1s RIXS maps of an aromatic molecule coupled to a semiconductor.

Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides (2017)
Journal Article
Li, J., O'Shea, J. N., Hou, X., & Chen, G. Z. (in press). Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides. Chemical Communications, 53(75), 10414-10417. https://doi.org/10.1039/C7CC04344A

The study of electron delocalisation in oxygen atom segregated zones in graphene, aided by the first-principles density functional theory, has revealed extra energy bands of ≥ 2 eV wide around the Fermi level, predicting faradaic charge storage occur... Read More about Faradaic processes beyond Nernst’s law: density functional theory assisted modelling of partial electron delocalisation and pseudocapacitance in graphene oxides.

Adsorption and charge transfer interactions of bi-isonicotinic acid on Ag(111) (2017)
Journal Article
Temperton, R. H., Gibson, A. J., Handrup, K., & O'Shea, J. N. (in press). Adsorption and charge transfer interactions of bi-isonicotinic acid on Ag(111). Journal of Chemical Physics, 147, https://doi.org/10.1063/1.4996746

The adsorption and charge transfer dynamics of the organic molecule bi-isonicotinic acid (4,4?-dicarboxy-2,2?-bipyridine) on single crystal Ag(111) has been studied using synchrotron radiation-based photoemission, x-ray absorption and resonant core s... Read More about Adsorption and charge transfer interactions of bi-isonicotinic acid on Ag(111).

On the suitability of high vacuum electrospray deposition for the fabrication of molecular electronic devices (2017)
Journal Article
Temperton, R. H., O'Shea, J. N., & Scurr, D. J. (2017). On the suitability of high vacuum electrospray deposition for the fabrication of molecular electronic devices. Chemical Physics Letters, 682, 15-19. https://doi.org/10.1016/j.cplett.2017.05.068

© 2017 We present a series of three studies investigating the potential application of high vacuum electrospray deposition to construct molecular electronic devices. Through the use of time of flight secondary ion mass spectrometry we explore the use... Read More about On the suitability of high vacuum electrospray deposition for the fabrication of molecular electronic devices.

Resonant core spectroscopies of the charge transfer interactions between C60 and the surfaces of Au(111), Ag(111), Cu(111) and Pt(111) (2016)
Journal Article
Gibson, A. J., Temperton, R. H., O'Shea, J. N., & Handrup, K. (2017). Resonant core spectroscopies of the charge transfer interactions between C60 and the surfaces of Au(111), Ag(111), Cu(111) and Pt(111). Surface Science, 657, https://doi.org/10.1016/j.susc.2016.11.009

Charge transfer interactions between C60 and the metal surfaces of Ag(111), Cu(111), Au(111) and Pt(111) have been studied using synchrotron-based photoemission, resonant photoemission and X-ray absorption spectroscopies. By placing the X-ray absorp... Read More about Resonant core spectroscopies of the charge transfer interactions between C60 and the surfaces of Au(111), Ag(111), Cu(111) and Pt(111).

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