Towards Pareto optimal high entropy hydrides via data-driven materials discovery (2023)
Journal Article
Witman, M. D., Ling, S., Wadge, M., Bouzidi, A., Pineda-Romero, N., Clulow, R., …Stavila, V. (2023). Towards Pareto optimal high entropy hydrides via data-driven materials discovery. Journal of Materials Chemistry A, 11(29), 15878-15888. https://doi.org/10.1039/d3ta02323k

The ability to rapidly screen material performance in the vast space of high entropy alloys is of critical importance to efficiently identify optimal hydride candidates for various use cases. Given the prohibitive complexity of first principles simul... Read More about Towards Pareto optimal high entropy hydrides via data-driven materials discovery.

Tailoring absorptivity of highly reflective Ag powders by pulsed-direct current magnetron sputtering for additive manufacturing processes (2023)
Journal Article
Wadge, M. D., Lowther, M., Cooper, T. P., Reynolds, W. J., Speidel, A., Carter, L. N., …Cox, S. C. (2023). Tailoring absorptivity of highly reflective Ag powders by pulsed-direct current magnetron sputtering for additive manufacturing processes. Journal of Materials Processing Technology, 317, Article 117985. https://doi.org/10.1016/j.jmatprotec.2023.117985

Processing of highly reflective and high thermally conductive materials (Cu, Ag, etc.) by laser powder bed fusion (LPBF) is of increasing interest to broaden the range of materials that can be additively manufactured. However, these alloys are challe... Read More about Tailoring absorptivity of highly reflective Ag powders by pulsed-direct current magnetron sputtering for additive manufacturing processes.

Production of Nano Hydroxyapatite and Mg-Whitlockite from Biowaste-Derived products via Continuous Flow Hydrothermal Synthesis: A Step towards Circular Economy (2023)
Journal Article
Nigar, F., Johnston, A. L., Smith, J., Oakley, W., Islam, M. T., Felfel, R., …Ahmed, I. (2023). Production of Nano Hydroxyapatite and Mg-Whitlockite from Biowaste-Derived products via Continuous Flow Hydrothermal Synthesis: A Step towards Circular Economy. Materials, 16(6), Article 2138. https://doi.org/10.3390/ma16062138

Biowastes from agriculture, sewage, household wastes, and industries comprise promising resources to produce biomaterials while reducing adverse environmental effects. This study focused on utilising waste-derived materials (i.e., eggshells as a calc... Read More about Production of Nano Hydroxyapatite and Mg-Whitlockite from Biowaste-Derived products via Continuous Flow Hydrothermal Synthesis: A Step towards Circular Economy.

Recent enterprises in high-rate monolithic photo-electrochemical energy harvest and storage devices (2023)
Journal Article
Turner, D., Li, M., Grant, D., & Ola, O. (2023). Recent enterprises in high-rate monolithic photo-electrochemical energy harvest and storage devices. Current Opinion in Electrochemistry, 38, Article 101243. https://doi.org/10.1016/j.coelec.2023.101243

Solar energy is set to play a major role in decarbonising the economy and creating a zero-emissions future. However, there is a need to store this abundant energy and, in many instances, supply that energy at a high rate. With large expense and effic... Read More about Recent enterprises in high-rate monolithic photo-electrochemical energy harvest and storage devices.

Developing alkaline titanate surfaces for medical applications (2023)
Journal Article
Wadge, M. D., McGuire, J., Thomas, K. G., Stuart, B. W., Felfel, R. M., Ahmed, I., & Grant, D. M. (in press). Developing alkaline titanate surfaces for medical applications. International Materials Reviews, Article 2153217. https://doi.org/10.1080/09506608.2022.2153217

Improving the surface of medical implants by plasma spraying of a hydroxyapatite coating can be of critical importance to their longevity and the patient’s convalescence. However, residual stresses, cracking, undesired crystallisation and delaminatio... Read More about Developing alkaline titanate surfaces for medical applications.

Substitutional effect of Ti-based AB2 hydrogen storage alloys: A density functional theory study (2023)
Journal Article
Loh, S. M., Grant, D. M., Walker, G. S., & Ling, S. (2023). Substitutional effect of Ti-based AB2 hydrogen storage alloys: A density functional theory study. International Journal of Hydrogen Energy, 48(35), 13227-13235. https://doi.org/10.1016/j.ijhydene.2022.12.083

Stability of AB2 alloy in Laves phases C14 and C15 were studied by first-principle density functional theory simulations. A range of different combinations of B and C elements in the Ti1−xCxB2 alloys were considered. The formation energies of these a... Read More about Substitutional effect of Ti-based AB2 hydrogen storage alloys: A density functional theory study.

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.

Hydrogen-Induced Conversion of SnS2 into SnS or Sn: A Route to Create SnS2/SnS Heterostructures (2022)
Journal Article
Patanè, A., Felton, J., Blundo, E., Kudrynskyi, Z., Ling, S., Bradford, J., …Patane, A. (2022). Hydrogen-Induced Conversion of SnS2 into SnS or Sn: A Route to Create SnS2/SnS Heterostructures. Small, 18(33), Article 2202661. https://doi.org/10.1002/smll.202202661

The family of van der Waals (vdW) materials is large and diverse with applications ranging from electronics and optoelectronics to catalysis and chemical storage. However, despite intensive research, there remains significant knowledge-gaps pertainin... Read More about Hydrogen-Induced Conversion of SnS2 into SnS or Sn: A Route to Create SnS2/SnS Heterostructures.

Highly Aligned Ni-Decorated GO–CNT Nanostructures in Epoxy with Enhanced Thermal and Electrical Properties (2022)
Journal Article
Hu, C., Zhang, H., Neate, N., Fay, M., Hou, X., Grant, D., & Xu, F. (2022). Highly Aligned Ni-Decorated GO–CNT Nanostructures in Epoxy with Enhanced Thermal and Electrical Properties. Polymers, 14(13), Article 2583. https://doi.org/10.3390/polym14132583

In this study, graphene oxide–carbon nanotubes nanostructures decorated with nickel nanoparticles (NiGNT) were prepared through the molecular-level-mixing method, followed by a reduction process, and then applied as reinforcements to enhance the epox... Read More about Highly Aligned Ni-Decorated GO–CNT Nanostructures in Epoxy with Enhanced Thermal and Electrical Properties.

Engineering the next generation of photorechargeable zinc-air batteries (2022)
Journal Article
Ola, O., Wang, N., Walker, G., Zhu, Y., & Grant, D. (2022). Engineering the next generation of photorechargeable zinc-air batteries. Current Opinion in Electrochemistry, 35, Article 101040. https://doi.org/10.1016/j.coelec.2022.101040

Solar energy has been identified as one of the key building blocks of the future energy generation mix required to meet greenhouse gas emissions targets while leading the way to a zero-carbon economy. In our opinion, photorechargeable zinc-air batter... Read More about Engineering the next generation of photorechargeable zinc-air batteries.