The United Nations University in Tokyo has estimated that an average 2 g silicon chip utilizes 1.6 kg of fossil fuels, 73 g of chemicals and 32 kg of water. This kind of waste is unprecedented in heavy manufacturing. For example, in car manufacturing the ratio of finished goods to waste is roughly equal. This is primarily because the nanomanufacturing technology used thus far is a layer-by-layer additive and subtractive process. As dimensions become increasingly small, the additive layers are increasingly smaller. Hence more subtractive waste is generated (as efficiencies are not one-to-one with further size scaling). Innovations thus far in nanomanufacturing have focused mostly on reducing feature sizes, which have now reached remarkably small dimensions, where further scaling will not deliver increased performance. This opens up the possibility of updating existing electronics, as functionality rather than scaling (or the feature size node) is the main driver. Meanwhile in academia, considerable research into self-assembly of nanoscale particles has also been of interest. With the renewal of this fellowship, I intend to advance developments during the last four years, not only within my group, but worldwide, towards integration of two or more additive nanomanufacturing processes to create functional devices. This research is supported substantially by industrial partners, to the tune of £339,700, underlining the significance of the research in industry.

The Cardiff Catalysis Institute, UK Catalysis Hub, Netherlands Centre for Multiscale Catalytic Energy Conversion (MCEC, Utrecht), and the Fritz-Haber-Institute of the Max Planck Society (FHI, Berlin) will use a novel theory-led approach to the design of new trimetallic nanoparticle catalysts. Supported metal nanoparticles have unique and fascinating physical and chemical properties that lead to wide ranging applications. A nanoparticle, by definition, has a diameter in the range one to one hundred nanometres. For such small structures, particularly towards the lower end of the size range, every atom can count as the properties of the nanoparticle can be changed upon the addition or removal of just a few atoms. Thus, properties of metal nanoparticles can be tuned by changing their size (number of atoms), morphology (shape) and composition (atom types and stoichiometry, i.e., including elemental metals, pure compounds, solid solutions, and metal alloys) as well as the choice of the support used as a carrier for the nanoparticle. The constituent atoms of a nanoparticle that are either part of, or are near the surface, can be exposed to light, electrons and X-rays for characterisation, and this is the region where reactions occur. Our lead application will be catalysis, which is a strategic worldwide industry of huge importance to the UK and global economy. Many catalysts comprise supported metal nanoparticles and this is now a rapidly growing field of catalysis. Metallic NPs already have widespread uses e.g., in improving hydrogen fuel cells and biomass reactors for energy generation, and in reducing harmful exhaust pollutants from automobile engines. Many traditional catalysts contain significant amounts of expensive precious metals, the use of which can be dramatically reduced by designing new multi-element nanocatalysts that can be tuned to improve catalytic activity, selectivity, and lifetime, and to reduce process and materials costs. A major global challenge in the field of nanocatalysis is to find a route to design and fabricate nanocatalysts in a rational, reproducible and robust way, thus making them more amenable for commercial applications. Currently, most supported metal nanocatalysts comprise one or at most two metals as alloys, but this project seeks to explore more complex structures using trimetallics as we now have proof-of-concept studies which show that the introduction of just a small amount of a third metal can markedly enhance catalytic performance. We aim to use theory to predict the structures and reactivities of multi-metallic NPs and to validate these numerical simulations by their synthesis and experimental characterisation (e.g., using electron microscopy and X-ray spectroscopy), particularly using in-situ methodologies and catalytic testing on a reaction of immense current importance; namely the hydrogenation of carbon dioxide to produce liquid transportation fuels. The programme is set out so that the experimental validation will provide feedback into the theoretical studies leading to the design of greatly improved catalysts. The use of theory to drive catalyst design is a novel feature of this proposal and we consider that theoretical methods are now sufficiently well developed and tested to be able to ensure theory-led catalyst design can be achieved. To achieve these ambitious aims, we have assembled a team of international experts to tackle this key area who have a track record of successful collaboration. The research centres in this proposal have complementary expertise that will allow for the study of a new class of complex heterogeneous catalysts, namely trimetallic alloys. The award of this Centre-to-Centre grant will place the UK at the forefront of international catalytic research.

Chemistry is a key underpinning science for solving many global problems. The ability to make any molecule or material, in any quantity needed in a prescribed timescale, and in a sustainable way, is important for the discovery and supply of new medicines to cure diseases, agrochemicals for better crop yields/protection, as well as new electronic and smart materials to improve our daily lives. Traditionally, synthetic chemistry is performed manually in conventional glassware. This approach is becoming increasingly inadequate to keep pace with the demand for greater accuracy and reproducibility of reactions, needed to support further discovery and development, including scaling up processes for manufacturing. The future of synthetic chemistry will require the wider adoption of automated (or autonomous) reaction platforms to perform reactions, with full capture of reaction conditions and outcomes. The data generated will be valuable for the development of better reactions and better predictive tools that will facilitate faster translation to industrial applications. The chemical and pharmaceutical industry is a significant provider of jobs and creator of wealth for the UK. Data from the Chemical Industries Association (CIA) shows that the chemical industry has a total turnover of £40B, adding £14.4B of value to the UK economy every year, employs 140,000 people directly, and supports a further 0.5M jobs. The sector is highly innovation-intensive: much of its annual spend of £4B on investment in capital and R&D is based on synthetic chemistry with many SME's and CRO's establishing novel markets in Science Parks across the UK regions, particularly in the South East and North West. The demand for graduate recruits by the Chemicals and Pharmaceutical industries for the period 2015-2025 is projected to be between 50,000-77,000, driven by an aging workforce creating significant volumes of replacement jobs, augmented by the need to address skills shortages in key enabling technologies, particularly automation and data skills. This CDT will provide a new generation of molecular scientists that are conversant with the practical skills, associated data science and digital technology to acquire, analyse and utilise large data sets in their daily work. This will be achieved by incorporating cross-disciplinary skills from engineering, as well as computing, statistics, and informatics into chemistry graduate programs, which are largely lacking from existing doctoral training in synthetic chemistry. Capitalising upon significant strategic infrastructural and capital investment on cutting edge technology at Imperial College London made in recent years, this CDT also attracts very significant inputs from industrial partners, as well as Centres of Excellence in the US and Europe, to deliver a unique multi-faceted training programme to improve the skills, employability and productivity of the graduates for future academic and industrial roles.

Humans have massively altered flows of nitrogen on our planet, leading to both benefits for food production and multiple threats to the environment. There are few places on Earth more affected than South Asia, with levels of nitrogen pollution rapidly increasing. The result is a web of interlinked problems, as nitrogen losses from agriculture and from fossil fuel combustion cause air and water pollution. This damages human health, threatens biodiversity of forests and rivers, and leads to coastal and marine pollution that exacerbates the effects of climate change, such as by predisposing reefs to coral bleaching. Altogether, it is clear that nitrogen pollution is something we should be taking very seriously. The amazing thing is that so few people have heard of the problem. Everyone knows about climate change and carbon footprints, but how many people are aware that nitrogen pollution is just as significant? One reason for this is that scientists and policy makers have traditionally specialised. Different experts have focused on different parts of the nitrogen story, and few have the expertise to see how all the issues fit together. This challenge is taken up by a major new research hub established under the UK Global Challenge Research Fund. The "GCRF South Asian Nitrogen Hub" is a partnership that brings together 32 leading research organisations with project engagement partners from the UK and South Asia. All eight countries of the South Asia Co-operative Environment Programme (SACEP) are included. The hub includes research on how to improve nitrogen management in agriculture, saving money on fertilizers and making better use of manure, urine and natural nitrogen fixation processes. It highlights options for more profitable and cleaner farming for India, Pakistan, Bangladesh, Nepal, Afghanistan, Sri Lanka, Bhutan and the Maldives. At the same time, the hub considers how nitrogen pollution could be turned back to fertilizer, for example by capturing nitrogen oxide gas from factories and converting it into nitrate. The fact that all the SACEP countries are included is really important. It means that lessons can be shared on good experiences as well as on whether there are cultural, economic and environmental differences that prevent better management practices from being adopted. It is also important from the perspective of international diplomacy, and provides an example to demonstrate how working together on a common problem is in everyone's interest. It puts the focus on future cooperation for a healthier planet, rather than on the past. The South Asian case provides for some exciting scientific, social, cultural and economic research challenges. The first is simply to get all the researchers talking together and understanding each other. There are dozens of languages in South Asia, matching the challenge met when different research disciplines come together. This is where developing a shared language around nitrogen can really help. There are lots of nitrogen forms ranging from unreactive atmospheric nitrogen (N2), to the air pollutants ammonia (NH3) and nitrogen dioxide (NO2), to nitrate (NO3-) which contaminates watercourses, and nitrous oxide (N2O) which is a greenhouse gas. The impacts of each of these are being studied to provide a better understanding of how they all fit together. The result is an approach that aims to give a much more coherent picture of the nitrogen cycle in South Asia: What is stopping us from taking action, and what can be done about it. One of the big expectations is that the economic value of nitrogen will help. India alone spends around £6 billion per year subsidising fertilizer supply. It means that South Asian governments are strongly motivated to use nitrogen better. At which point research from the South Asian hub can provide guidance on where they might start.

Humans have massively altered flows of nitrogen on our planet, leading to both benefits for food production and multiple threats to the environment. There are few places on Earth more affected than South Asia, with levels of nitrogen pollution rapidly increasing. The result is a web of interlinked problems, as nitrogen losses from agriculture and from fossil fuel combustion cause air and water pollution. This damages human health, threatens biodiversity of forests and rivers, and leads to coastal and marine pollution that exacerbates the effects of climate change, such as by predisposing reefs to coral bleaching. Altogether, it is clear that nitrogen pollution is something we should be taking very seriously. The amazing thing is that so few people have heard of the problem. Everyone knows about climate change and carbon footprints, but how many people are aware that nitrogen pollution is just as significant? One reason for this is that scientists and policy makers have traditionally specialised. Different experts have focused on different parts of the nitrogen story, and few have the expertise to see how all the issues fit together. This challenge is taken up by a major new research hub established under the UK Global Challenge Research Fund. The "GCRF South Asian Nitrogen Hub" is a partnership that brings together 32 leading research organisations with project engagement partners from the UK and South Asia. All eight countries of the South Asia Co-operative Environment Programme (SACEP) are included. The hub includes research on how to improve nitrogen management in agriculture, saving money on fertilizers and making better use of manure, urine and natural nitrogen fixation processes. It highlights options for more profitable and cleaner farming for India, Pakistan, Bangladesh, Nepal, Afghanistan, Sri Lanka, Bhutan and the Maldives. At the same time, the hub considers how nitrogen pollution could be turned back to fertilizer, for example by capturing nitrogen oxide gas from factories and converting it into nitrate. The fact that all the SACEP countries are included is really important. It means that lessons can be shared on good experiences as well as on whether there are cultural, economic and environmental differences that prevent better management practices from being adopted. It is also important from the perspective of international diplomacy, and provides an example to demonstrate how working together on a common problem is in everyone's interest. It puts the focus on future cooperation for a healthier planet, rather than on the past. The South Asian case provides for some exciting scientific, social, cultural and economic research challenges. The first is simply to get all the researchers talking together and understanding each other. There are dozens of languages in South Asia, matching the challenge met when different research disciplines come together. This is where developing a shared language around nitrogen can really help. There are lots of nitrogen forms ranging from unreactive atmospheric nitrogen (N2), to the air pollutants ammonia (NH3) and nitrogen dioxide (NO2), to nitrate (NO3-) which contaminates watercourses, and nitrous oxide (N2O) which is a greenhouse gas. The impacts of each of these are being studied to provide a better understanding of how they all fit together. The result is an approach that aims to give a much more coherent picture of the nitrogen cycle in South Asia: What is stopping us from taking action, and what can be done about it. One of the big expectations is that the economic value of nitrogen will help. India alone spends around £6 billion per year subsidising fertilizer supply. It means that South Asian governments are strongly motivated to use nitrogen better. At which point research from the South Asian hub can provide guidance on where they might start.