All Outputs (58)

Benzene-1,2,4,5-tetrol (2024)
Journal Article
Weare, B. L., Hoggett, S., Cull, W. J., Argent, S. P., Khlobystov, A. N., & Brown, P. D. (2024). Benzene-1,2,4,5-tetrol. IUCrData, 9(6), Article x240612. https://doi.org/10.1107/S2414314624006126

The crystal structure of the title compound was determined at 120 K. It crystallizes in the triclinic space group P\overline{1} with four independent molecules in the asymmetric unit. In the crystal, each symmetry-unique molecule forms π–π stacks on... Read More about Benzene-1,2,4,5-tetrol.

Direct formation of copper nanoparticles from atoms at graphitic step edges lowers overpotential and improves selectivity of electrocatalytic CO2 reduction (2024)
Journal Article
Burwell, T., Thangamuthu, M., Aliev, G. N., Ghaderzadeh, S., Kohlrausch, E. C., Chen, Y., Theis, W., Norman, L. T., Alves Fernandes, J., Besley, E., Licence, P., & Khlobystov, A. N. (2024). Direct formation of copper nanoparticles from atoms at graphitic step edges lowers overpotential and improves selectivity of electrocatalytic CO2 reduction. Communications Chemistry, 7(1), Article 140. https://doi.org/10.1038/s42004-024-01218-y

A key strategy for minimizing our reliance on precious metals is to increase the fraction of surface atoms and improve the metal-support interface. In this work, we employ a solvent/ligand/counterion-free method to deposit copper in the atomic form d... Read More about Direct formation of copper nanoparticles from atoms at graphitic step edges lowers overpotential and improves selectivity of electrocatalytic CO2 reduction.

From scrap metal to highly efficient electrodes: harnessing the nanotextured surface of swarf for effective utilisation of Pt and Co for hydrogen production (2024)
Journal Article
Thangamuthu, M., Kohlrausch, E. C., Li, M., Speidel, A., Clare, A. T., Plummer, R., Geary, P., Murray, J. W., Khlobystov, A. N., & Alves Fernandes, J. (2024). From scrap metal to highly efficient electrodes: harnessing the nanotextured surface of swarf for effective utilisation of Pt and Co for hydrogen production. Journal of Materials Chemistry A, 12(25), 15137-15144. https://doi.org/10.1039/d4ta00711e

Hydrogen is considered to be the key element to achieving climate neutrality, leading to a massive demand for electrocatalysts. This work explores the transformation of metal waste into active and stable electrode materials for water splitting by mod... Read More about From scrap metal to highly efficient electrodes: harnessing the nanotextured surface of swarf for effective utilisation of Pt and Co for hydrogen production.

Structure and chemical composition of the Mg electrode during cycling in a simple glyme electrolyte (2024)
Journal Article
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.

Synergy of nanocrystalline carbon nitride with Cu single atom catalyst leads to selective photocatalytic reduction of CO2 to methanol (2024)
Journal Article
LeMercier, T. M., Thangamuthu, M., Kohlrausch, E. C., Chen, Y., Stoppiello, C. T., Fay, M. W., Rance, G. A., Aliev, G. N., Theis, W., Biskupek, J., Kaiser, U., Lanterna, A. E., Alves Fernandes, J., & Khlobystov, A. N. (2024). Synergy of nanocrystalline carbon nitride with Cu single atom catalyst leads to selective photocatalytic reduction of CO2 to methanol. Sustainable Energy and Fuels, 1691-1703. https://doi.org/10.1039/D4SE00028E

Carbon nitride (C3N4) possesses both a band gap in the visible range and a low-lying conduction band potential, suitable for water splitting and CO2 reduction reactions (CO2RR). Yet, bulk C3N4 (b-C3N4) suffers from structural disorder leading to slug... Read More about Synergy of nanocrystalline carbon nitride with Cu single atom catalyst leads to selective photocatalytic reduction of CO2 to methanol.

Sensing the Spin State of Room-Temperature Switchable Cyanometallate Frameworks with Nitrogen-Vacancy Centers in Nanodiamonds (2024)
Journal Article
Flinn, B. T., Rance, G. A., Cull, W. J., Cardillo-Zallo, I., Pitcairn, J., Cliffe, M. J., Fay, M. W., Tyler, A. J., Weare, B. L., Stoppiello, C. T., Davies, E. S., Mather, M. L., & Khlobystov, A. N. (2024). Sensing the Spin State of Room-Temperature Switchable Cyanometallate Frameworks with Nitrogen-Vacancy Centers in Nanodiamonds. ACS Nano, 18(9), 7148–7160. https://doi.org/10.1021/acsnano.3c11820

Room-temperature magnetically switchable materials play a vital role in current and upcoming quantum technologies, such as spintronics, molecular switches, and data storage devices. The increasing miniaturization of device architectures produces a ne... Read More about Sensing the Spin State of Room-Temperature Switchable Cyanometallate Frameworks with Nitrogen-Vacancy Centers in Nanodiamonds.

Direct Deposition of Copper Atoms onto Graphitic Step Edges Lowers Overpotential and Improves Selectivity of Electrocatalytic CO2 Reduction (2024)
Preprint / Working Paper
Thangamuthu, M., Burwell, T., Aliev, G., Ghaderzadeh, S., Kohlrausch, E., Chen, Y., …Khlobystov, A. Direct Deposition of Copper Atoms onto Graphitic Step Edges Lowers Overpotential and Improves Selectivity of Electrocatalytic CO2 Reduction

Minimizing our reliance on bulk precious metals is to increase the fraction of surface atoms and improve the metal-support interface. In this work, we employ a solvent/ligand/counterion-free method to deposit copper in the atomic form directly onto a... Read More about Direct Deposition of Copper Atoms onto Graphitic Step Edges Lowers Overpotential and Improves Selectivity of Electrocatalytic CO2 Reduction.

Atomic-Scale Time-Resolved Imaging of Krypton Dimers, Chains and Transition to a One-Dimensional Gas (2024)
Journal Article
Cardillo-Zallo, I., Biskupek, J., Bloodworth, S., Marsden, E. S., Fay, M. W., Ramasse, Q. M., Rance, G. A., Stoppiello, C. T., Cull, W. J., Weare, B. L., Whitby, R. J., Kaiser, U., Brown, P. D., & Khlobystov, A. N. (2024). Atomic-Scale Time-Resolved Imaging of Krypton Dimers, Chains and Transition to a One-Dimensional Gas. ACS Nano, 18(4), 2958–2971. https://doi.org/10.1021/acsnano.3c07853

Single-atom dynamics of noble-gas elements have been investigated using time-resolved transmission electron microscopy (TEM), with direct observation providing for a deeper understanding of chemical bonding, reactivity, and states of matter at the na... Read More about Atomic-Scale Time-Resolved Imaging of Krypton Dimers, Chains and Transition to a One-Dimensional Gas.

Chemical Kinetics of Metal Single Atom and Nanocluster Formation on Surfaces: An Example of Pt on Hexagonal Boron Nitride (2023)
Journal Article
Popov, I., Ghaderzadeh, S., Kohlrausch, E. C., Norman, L. T., Slater, T. J. A., Aliev, G. N., …Besley, E. (2023). Chemical Kinetics of Metal Single Atom and Nanocluster Formation on Surfaces: An Example of Pt on Hexagonal Boron Nitride. Nano Letters, https://doi.org/10.1021/acs.nanolett.3c01968

The production of atomically dispersed metal catalysts remains a significant challenge in the field of heterogeneous catalysis due to coexistence with continuously packed sites such as nanoclusters and nanoparticles. This work presents a comprehensiv... Read More about Chemical Kinetics of Metal Single Atom and Nanocluster Formation on Surfaces: An Example of Pt on Hexagonal Boron Nitride.

Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy (2023)
Journal Article
Bradford, J., Cheng, T. S., James, T. S., Khlobystov, A. N., Mellor, C. J., Watanabe, K., …Beton, P. H. (2023). Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy. 2D Materials, 10(3), Article 035035. https://doi.org/10.1088/2053-1583/acdefc

Integration of graphene and hexagonal boron nitride (hBN) in lateral heterostructures has provided a route to broadly engineer the material properties by quantum confinement of electrons or introduction of novel electronic and magnetic states at the... Read More about Graphene nanoribbons with hBN passivated edges grown by high-temperature molecular beam epitaxy.

Unravelling synergistic effects in bi-metallic catalysts: deceleration of palladium–gold nanoparticle coarsening in the hydrogenation of cinnamaldehyde (2023)
Journal Article
Pinto, J., Weilhard, A., Norman, L. T., Lodge, R. W., Rogers, D. M., Gual, A., …Alves Fernandes, J. (2023). Unravelling synergistic effects in bi-metallic catalysts: deceleration of palladium–gold nanoparticle coarsening in the hydrogenation of cinnamaldehyde. Catalysis Science and Technology, https://doi.org/10.1039/d3cy00289f

In this work, we demonstrate that the synergistic effect of PdAu nanoparticles (NPs) in hydrogenation reactions is not only related to high activity but also to their stability when compared to Pd mono-metallic NPs. To demonstrate this, a series of m... Read More about Unravelling synergistic effects in bi-metallic catalysts: deceleration of palladium–gold nanoparticle coarsening in the hydrogenation of cinnamaldehyde.

Voltammetric Evidence of Proton Transport through the Sidewalls of Single-Walled Carbon Nanotubes (2023)
Journal Article
Jordan, J. W., Mortiboy, B., Khlobystov, A. N., Johnson, L. R., Newton, G. N., & Walsh, D. A. (2023). Voltammetric Evidence of Proton Transport through the Sidewalls of Single-Walled Carbon Nanotubes. Journal of the American Chemical Society, 145(16), 9052–9058. https://doi.org/10.1021/jacs.3c00554

Understanding ion transport in solid materials is crucial in the design of electrochemical devices. Of particular interest in recent years is the study of ion transport across 2-dimensional, atomically thin crystals. In this contribution, we describe... Read More about Voltammetric Evidence of Proton Transport through the Sidewalls of Single-Walled Carbon Nanotubes.

Direct measurement of single-molecule dynamics and reaction kinetics in confinement using time-resolved transmission electron microscopy (2023)
Journal Article
Fung, K. L. Y., Skowron, S. T., Hayter, R., Mason, S. E., Weare, B. L., Besley, N. A., …Khlobystov, A. N. (2023). Direct measurement of single-molecule dynamics and reaction kinetics in confinement using time-resolved transmission electron microscopy. Physical Chemistry Chemical Physics, 25(13), 9092-9103. https://doi.org/10.1039/d2cp05183d

We report experimental methodologies utilising transmission electron microscopy (TEM) as an imaging tool for reaction kinetics at the single molecule level, in direct space and with spatiotemporal continuity. Using reactions of perchlorocoronene (PCC... Read More about Direct measurement of single-molecule dynamics and reaction kinetics in confinement using time-resolved transmission electron microscopy.

Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation (2022)
Journal Article
Jordan, J. W., Chernov, A. I., Rance, G. A., Stephen Davies, E., Lanterna, A. E., Alves Fernandes, J., …Khlobystov, A. N. (2023). Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation. Journal of the American Chemical Society, 145(2), 1206-1215. https://doi.org/10.1021/jacs.2c10961

Boron nitride nanotubes (BNNTs) are an emerging class of molecular container offering new functionalities and possibilities for studying molecules at the nanoscale. Herein, BNNTs are demonstrated as highly effective nanocontainers for polyoxometalate... Read More about Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation.

Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope (2022)
Journal Article
Fung, K. L., Weare, B. L., Fay, M. W., Argent, S. P., & Khlobystov, A. N. (2023). Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope. Micron, 165, Article 103395. https://doi.org/10.1016/j.micron.2022.103395

Reactivity of a series of related molecules under the 80 keV electron beam have been investigated and correlated with their structures and chemical composition. Hydrogenated and halogenated derivatives of hexaazatrinaphthylene, coronene, and phthaloc... Read More about Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope.

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., O'Shea, J. N., Khlobystov, A. N., Walsh, D. A., Johnson, L. R., Felfel, R. M., Ahmed, I., & 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.

Molecular Encapsulation from the Liquid Phase and Graphene Nanoribbon Growth in Carbon Nanotubes (2022)
Journal Article
Cadena, A., Botka, B., Pekker, Á., Tschannen, C. D., Lombardo, C., Novotny, L., …Kamarás, K. (2022). Molecular Encapsulation from the Liquid Phase and Graphene Nanoribbon Growth in Carbon Nanotubes. Journal of Physical Chemistry Letters, 13(41), 9752-9758. https://doi.org/10.1021/acs.jpclett.2c02046

Growing graphene nanoribbons from small organic molecules encapsulated in carbon nanotubes can result in products with uniform width and chirality. We propose a method based on encapsulation of 1,2,4-trichlorobenzene from the liquid phase and subsequ... Read More about Molecular Encapsulation from the Liquid Phase and Graphene Nanoribbon Growth in Carbon Nanotubes.

A self-crosslinking monomer, α-pinene methacrylate: understanding and exploiting hydrogen abstraction (2022)
Journal Article
Monaghan, O. R., Skowron, S. T., Moore, J. C., Pin-Nó, M., Kortsen, K., Atkinson, R. L., Krumins, E., Lentz, J. C., Machado, F., Onat, Z., Brookfield, A., Collison, D., Khlobystov, A. N., De Focatiis, D., Irvine, D. J., Taresco, V., Stockman, R. A., & Howdle, S. M. (2022). A self-crosslinking monomer, α-pinene methacrylate: understanding and exploiting hydrogen abstraction. Polymer Chemistry, 13(39), 5557-5567. https://doi.org/10.1039/d2py00878e

Crosslinking is a valuable route to creating new polymeric materials and normally involves introduction of a cross linker or some form of secondary processing. Here we report the discovery and analysis of a self-crosslinking sustainable terpene deriv... Read More about A self-crosslinking monomer, α-pinene methacrylate: understanding and exploiting hydrogen abstraction.

A Crystalline 1D Dynamic Covalent Polymer (2022)
Journal Article
De Bolòs, E., Martínez-Abadía, M., Hernández-Culebras, F., Haymaker, A., Swain, K., Strutyński, K., Weare, B. L., Castells-Gil, J., Padial, N. M., Martí-Gastaldo, C., Khlobystov, A. N., Saeki, A., Melle-Franco, M., Nannenga, B. L., & Mateo-Alonso, A. (2022). A Crystalline 1D Dynamic Covalent Polymer. Journal of the American Chemical Society, 144(34), 15443-15450. https://doi.org/10.1021/jacs.2c06446

The synthesis of crystalline one-dimensional polymers provides a fundamental understanding about the structure-property relationship in polymeric materials and allows the preparation of materials with enhanced thermal, mechanical, and conducting prop... Read More about A Crystalline 1D Dynamic Covalent Polymer.

Magnetic nanoribbons with embedded cobalt grown inside single-walled carbon nanotubes (2021)
Journal Article
Krichevsky, D. M., Shi, L., Baturin, V. S., Rybkovsky, D. V., Wu, Y., Fedotov, P. V., …Chernov, A. I. (2022). Magnetic nanoribbons with embedded cobalt grown inside single-walled carbon nanotubes. Nanoscale, 14(5), 1978-1989. https://doi.org/10.1039/d1nr06179h

Molecular magnetism and specifically magnetic molecules have recently gained plenty of attention as key elements for quantum technologies, information processing, and spintronics. Transition to the nanoscale and implementation of ordered structures w... Read More about Magnetic nanoribbons with embedded cobalt grown inside single-walled carbon nanotubes.