Outputs (31)

A descriptor guiding the selection of catalyst supports for ammonia synthesis (2025)
Journal Article
Weilhard, A., Popov, I., Kohlrausch, E. C., Aliev, G. N., Blankenship, L. S., Norman, L. T., Ghaderzadeh, S., Smith, L., Isaacs, M., O'Shea, J., Lanterna, A. E., Theis, W., Morgan, D., Hutchings, G. J., Besley, E., Khlobystov, A. N., & Alves Fernandes, J. (2025). A descriptor guiding the selection of catalyst supports for ammonia synthesis. Chemical Science, 16(11), 4851-4859. https://doi.org/10.1039/d4sc08253b

The efforts to increase the active surface area of catalysts led to reduction of metal particle size, down to single metal atoms. This results in increasing importance of support-metal interactions. We demonstrate the mechanisms through which the sup... Read More about A descriptor guiding the selection of catalyst supports for ammonia synthesis.

Probing and manipulating the Mexican hat-shaped valence band of In2Se3 (2025)
Journal Article
Felton, J., Harknett, J., Page, J., Yang, Z., Alghofaili, N., O’Shea, J. N., Eaves, L., Kohama, Y., Greenaway, M. T., & Patanè, A. (2025). Probing and manipulating the Mexican hat-shaped valence band of In2Se3. Nature Communications, 16, Article 922. https://doi.org/10.1038/s41467-025-56139-8

Ferroelectrics based on van der Waals semiconductors represent an emergent class of materials for disruptive technologies ranging from neuromorphic computing to low-power electronics. However, many theoretical predictions of their electronic properti... Read More about Probing and manipulating the Mexican hat-shaped valence band of In2Se3.

Defect-Induced Doping and Chemisorption of O2 in Se Deficient GaSe Monolayers (2024)
Journal Article
Bradford, J., Rahman, K., Felton, J., Shiffa, M., Cheng, T. S., Beton, P. H., Saywell, A., Greenaway, M., Novikov, S. V., O'Shea, J. N., & Patane, A. (2024). Defect-Induced Doping and Chemisorption of O2 in Se Deficient GaSe Monolayers. 2D Materials, 12(1), Article 015019. https://doi.org/10.1088/2053-1583/ad9d57

Owing to their atomically thin nature, structural defects in two-dimensional materials often play a dominating role in their electronic and optical properties. Here, we grow epitaxial GaSe monolayers on graphene/SiC by molecular beam epitaxy and char... Read More about Defect-Induced Doping and Chemisorption of O2 in Se Deficient GaSe Monolayers.

On-Surface Synthesis of Ni-Porphyrin-Doped Graphene Nanoribbons (2024)
Journal Article
Edmondson, M., Clarke, M., O’Shea, J. N., Chen, Q., Anderson, H. L., & Saywell, A. (2024). On-Surface Synthesis of Ni-Porphyrin-Doped Graphene Nanoribbons. ACS Nano, 18(49), 33390–33397. https://doi.org/10.1021/acsnano.4c09188

On-surface synthesis of functional molecular structures provides a route to the fabrication of materials tailored to exhibit bespoke catalytic, (opto)electronic, and magnetic properties. The fabrication of graphene nanoribbons via on-surface synthesi... Read More about On-Surface Synthesis of Ni-Porphyrin-Doped Graphene Nanoribbons.

Selective Photocatalytic Reduction of CO2 to CH4 over NU-1000 Metal-Organic Frameworks (2024)
Preprint / Working Paper
Korhonen, P., Thangamuthu, M., Castaldelli, E., Diego-Lopez, A., Weilhard, A., Clowes, R., O'Shea, J., Laybourn, A., & Lanterna, A. Selective Photocatalytic Reduction of CO2 to CH4 over NU-1000 Metal-Organic Frameworks

CO2 adsorption and its subsequent utilization represent a promising avenue for mitigating climate change. The conver-sion of CO2 into valuable and useful products like carbon monoxide, methane, and methanol offers significant economic benefits. Howev... Read More about Selective Photocatalytic Reduction of CO2 to CH4 over NU-1000 Metal-Organic Frameworks.

Epitaxy of GaSe Coupled to Graphene: From In Situ Band Engineering to Photon Sensing (2024)
Journal Article
Bradford, J., Dewes, B. T., Shiffa, M., Cottam, N. D., Rahman, K., Cheng, T. S., Novikov, S. V., Makarovsky, O., O'Shea, J. N., Beton, P. H., Lara-Avila, S., Harknett, J., Greenaway, M. T., & Patanè, A. (2024). Epitaxy of GaSe Coupled to Graphene: From In Situ Band Engineering to Photon Sensing. Small, 20(40), Article 2404809. https://doi.org/10.1002/smll.202404809

2D semiconductors can drive advances in quantum science and technologies. However, they should be free of any contamination; also, the crystallographic ordering and coupling of adjacent layers and their electronic properties should be well‐controlled... Read More about Epitaxy of GaSe Coupled to Graphene: From In Situ Band Engineering to Photon Sensing.

Template‐Directed Synthesis of Strained meso‐meso‐Linked Porphyrin Nanorings (2024)
Journal Article
Van Raden, J. M., Deng, J., Gotfredsen, H., Hergenhahn, J., Clarke, M., Edmondson, M., Hart, J., O'Shea, J. N., Duarte, F., Saywell, A., & Anderson, H. L. (2024). Template‐Directed Synthesis of Strained meso‐meso‐Linked Porphyrin Nanorings. Angewandte Chemie, 136(14), Article e202400103. https://doi.org/10.1002/ange.202400103

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

Porphyrin-fused graphene nanoribbons (2024)
Journal Article
Chen, Q., Lodi, A., Zhang, H., Gee, A., Wang, H. I., Kong, F., Clarke, M., Edmondson, M., Hart, J., O’Shea, J. N., Stawski, W., Baugh, J., Narita, A., Saywell, A., Bonn, M., Müllen, K., Bogani, L., & Anderson, H. L. (2024). Porphyrin-fused graphene nanoribbons. Nature Chemistry, 16, 1133-1140. 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)
Journal Article
Dimogiannis, K., Sankowski, A., Holc, C., Parmenter, C. D., Newton, G. N., Walsh, D. A., O'Shea, J., Khlobystov, A. N., & 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)
Journal Article
Van Raden, J. M., Deng, J., Gotfredsen, H., Hergenhahn, J., Clarke, M., Edmondson, M., Hart, J., O'Shea, J. N., Duarte, F., Saywell, A., & 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.