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The Africa Capacity-Building Initiative is a Royal Society programme funded by the former UK Department for International Development to develop collaborative research between scientists in sub-Saharan Africa and the UK. Initially, four institutions were involved in the Chem4Energy consortium: Cardiff University in the UK and three African partners, the Kwame Nkrumah University of Science and Technology, Ghana, the University of Namibia and the University of Botswana, soon also including the Botswana International University of Science and Technology. The Chem4Energy research programme focused on 'New materials for a sustainable energy future: linking computation with experiment', aiming to deploy the synergy between state-of-the-art computational and experimental techniques to design and optimize new catalysts and semiconductor materials for renewable energy applications, based on materials that are abundant and readily available in African countries. The Chem4Energy consortium has achieved ambitious research goals, graduated seven PhD students and delivered a high-quality cross-disciplinary training programme in materials science and simulation techniques relevant to renewable energy applications. Since 2021, the extended consortium, including North-West University and the Centre for High-Performance Computing in South Africa, has remained active through an annual Chem4Energy conference series, with the sixth meeting taking place in Namibia in April 2025.

Metal sulphides, including zinc sulphide (ZnS), are semiconductor photocatalysts that have been investigated for the photocatalytic degradation of organic pollutants as well as their activity during the hydrogen evolution reaction and water splitting. However, devising ZnS photocatalysts with a high overall quantum efficiency has been a challenge due to the rapid recombination rates of charge carriers. Various strategies, including the control of size and morphology of ZnS nanoparticles, have been proposed to overcome these drawbacks. In this work, ZnS samples with different morphologies were prepared from zinc and sulphur powders via a facile hydrothermal method by varying the amount of sodium borohydride used as a reducing agent. The structural properties of the ZnS nanoparticles were analysed by X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) techniques. All-electron hybrid density functional theory calculations were employed to elucidate the effect of sulphur and zinc vacancies occurring in the bulk as well as (220) surface on the overall electronic properties and absorption of ZnS. Considerable differences in the defect level positions were observed between the bulk and surface of ZnS while the adsorption of NaBH4 was found to be highly favourable but without any significant effect on the band gap of ZnS. The photocatalytic activity of ZnS was evaluated for the degradation of rhodamine B dye under UV irradiation and hydrogen generation from water. The ZnS nanoparticles photo-catalytically degraded Rhodamine B dye effectively, with the sample containing 0.01 mol NaBH4 being the most efficient. The samples also showed activity for hydrogen evolution, but with less H2 produced compared to when untreated samples of ZnS were used. These findings suggest that ZnS nanoparticles are effective photocatalysts for the degradation of rhodamine B dyes as well as the hydrogen evolutio