In the 20th century, the development of silicon-based electronics revolutionised the world, becoming the most pervasive technology behind modern-day life. In the 21st century, it is envisaged that technology will move to the use of light (photons) together with, or in place of, electrons, providing a dramatic increase in the speed and quantity of information processing whilst also reducing the energy required to do so. Making this transition to an all optical 'photonic' technology has proved to be a complex task, as the material of choice for electronics, silicon, is limited in its ability to control light. In the search for alternative materials, a class of glasses called amorphous chalcogenides (a-ChGs) have shown remarkable promise, to the point where they have been referred to as the 'optical equivalent of silicon'. Chalcogenides are materials which contain one or more of the elements sulfur, selenium or tellurium as a major constituent. These materials are already widely used in applications such as photovoltaics, memory (e.g. DVDs), advanced optical devices (e.g. lasers), and in some thermoelectric generation systems. It is accepted that the move to all-optical technologies will require an intermediate stage where information processing is undertaken using a hybrid 'optoelectronic' system. This provides a strong and compelling argument for the development of a-ChGs, as they can be deposited on Si to form a hybrid approach en-route to their use as an all-optical platform. Whilst the optical properties of a-ChGs may be controlled and modified it has proved to be extremely difficult to modify their electronic properties during the material preparation, which has typically involved melting at high temperatures. Any impurities that are added to these materials in order to change the electronic behaviour are ineffective under these conditions due to the ability of the ChG material to reorder itself when melted, and so negate the desired doping effect. We have successfully pioneered a method to modify their properties by introducing dopants into a-ChGs below their melting temperature, thus not allowing the material to reorder, using ion-implantation. This method of doping allows precise control of the type of impurity introduced and is widely used in silicon technologies. As a result of this work, we have demonstrated the ability to reverse the majority charge carrier type from holes (p-type) to electrons (n-type) in a spatially localised way. This step-changing achievement enabled us to demonstrate the fabrication of optically active pn-junctions in a-ChGs, which will act as the enabling catalyst for the development of future photonic technologies. In this project we will seek to develop a full understanding of the process of carrier-type reversal on the atomic scale, and use this information to optimize it, and the materials that are to be modified, so as to add further functionality. We will also develop the required advanced engineering methods which relate to the control and activation of dopants introduced using ion-implantation into a-ChGs. Together, these will enable the demonstration of a series of optoelectronic devices demonstrating the key functionalities required to build an integrated optoelectronic technology. This programme will consolidate the position of the UK as the world leader in the field of non-equilibrium doping of chalcogenides. We will, in this way, champion these materials in the world's transition to beyond CMOS technology and therefore directly contribute to the continuing growth of the knowledge economy. We will train the next generation of scientists and engineers in state-of-the-art techniques to ensure that the UK maintains the expertise base required for this purpose, aim to ensure that the impact of this work is maximised and accelerated where possible, and communicate the results widely, including to all stakeholders in this research.

Realization of new technologies that are able to minimize energy consumption and reduce our dependence on fossil fuels depends critically on the development of novel materials. For example, the most immediate obstacle to the widespread use ofhydrogen as a clean energy carrier is the practicality of hydrogen storage for on-board applications: no existing materials satisfy the required specifications. Superconductors can also have a major impact on numerous technologies in transportation, medicine, electronics etc., provided that they can operate at relatively high temperatures and carry significant current.I plan to explore an important class of materials, metal borides, that have a wide range of potential applications: superconductors, hydrogen stores, batteries, catalysts, and hard coatings. My main goal is to perform an extensive ab initio analysis of metal boride properties that will reveal binding mechanisms across a wide range of structures and compositions. I will use the acquired fundamental knowledge to develop an efficient compound prediction method - a new method is required because the complexity of metal borides' morphologies prohibits the use of automated compound prediction methods recently developed for metal alloys. Development of such a tool will speed up the design of multi-component metal borides for specific applications.I have already attempted to use this strategy for rational materials design during my postdoctoral work and demonstrated its effectiveness on particular examples. I have revisited a few selected binary and ternary metal-boron systems and identified several previously overlooked promising candidate compounds with appealing properties. This gives grounds for optimism that a more large-scale systematic search for stable phases will reveal new materials of great practical importance. My main focus will be on metal borides with potential for superconductivity or hydrogen storage, as I have expertise in these fields. As part of my career development I also plan to extend my research to other areas, such as battery applications. I believe that consideration of such a broad range of applications in one combined study is not only a sensible but also the most efficient work plan. Indeed, as described in the proposal, metal borides with very different properties may have an underlying structural link and their stability regions can be investigated investigated in one set of carefully planned simulations and experiments.

We wish to discover solids that act as highly efficient reservoirs to store - and release - hydrogen gas, for use in fuel cell (hydrogen) vehicles. Currently, there are no solids that will fulfil all the stringent requirements / including requirements for a high storage capacity and low temperature absorption and release of hydrogen gas / for hydrogen stores in mobile applications. Since the choice of potential materials is so bewildering, we must reduce the number elements that may be components in our solids We do this by only using elements that are light enough to give us an efficient hydrogen store. Even when we only consider the light elements of the periodic table, for example elements that weigh less than calcium, there are still very many families and compositions that remain / especially if you consider that very small amounts of heavier elements may be necessary to act as catalysts in our stores. To counteract this surfeit of choice we aim to use theoretical and modelling studies to identify in advance promising hydrogen storage materials families. These materials families will then be produced - and characterized - through the use of innovative high throughput thin film techniques. Combinations of structural and hydrogen absorption characterization will allow us to identify the most effective compositions within each family. Once a composition has been identified we aim to determine whether we can produce the material in larger quantities and / most importantly / whether it retains its key hydrogen storage properties. To do this we will develop methods to synthesize, thoroughly characterize and optimize gram scale quantities of the most promising compositions. These studies will provide essential information allowing us to refine our theoretical and modelling studies, and thus optimize our research pathways and identify new families of materials. They also provide a vital stepping stone to the development of processes for materials synthesis at a scale required for commercial exploitation. Once candidate compositions have been fully tested / and after a full project review to determine the success of our method / we will, in collaboration with our industrial partners, begin the synthesis, characterization and testing of materials on an industrial scale, with a view to commercial exploitation of our hydrogen stores.

This project is concerned with developing non-aqueous electrochemical methods and suitably tailored reagents to facilitate spatially selective electrodeposition of binary (e.g. In2(Se,Te)3, Sb2(Se,Te)3, Ge(Se,Te)) and the ternary chalcogenide materials (e.g. Ge2Sb2Te5, doped Sb2Te3) for applications in solid-state phase change memory (PCM). The key objectives are to demonstrate successful deposition of the target materials inside nano-scale (down to 2 nm) confined cell structures and to establish the effect of down-scaling pore size on the deposition process. Successful electrodeposition of well-defined compound semiconductor alloy compositions of these types will provide a significant new enabling technology which could also have a major impact on the other applications requiring semiconductor alloy deposition on a nano-scale. Using non-aqueous solvents (such as MeCN, propylene carbonate or chlorofluorocarbons) will bring several advantages over aqueous processes:(i) the use of a much wider range of reagents which can be tailored to the application;(ii) access to more reactive alloy compositions;(iii) a wider range of deposition potentials,while these solvents are more readily available, less expensive, much more easy to purify and less viscous (important for penetrating narrow. high aspect-ratio pores) than for example ionic liquids.These chalcogenide alloys are of major interest for phase change memory (PCM) materials - an emerging technology for non-volatile memory which is expected to compete with (and even replace) FLASH memory in specialist and everyday consumer electronics. Production of these alloys by electrodeposition could bring several advantages over current methods of production (mainly PVD), since it allows spatially selective deposition (since the materials are only deposited on the electrode surface), filling the pores of the templates from the bottom, hence enabling complete filling even of very narrow nanopores - leading to a very significant reduction of the dimensions of each individual cell, and hence potentially much higher cell density. In turn this will lead to faster switching between the crystalline and non-crystalline phases, leading to smaller devices and greater energy efficiency. To achieve these targets requires a multidisciplinary approach involving several key contributions: (i) to develop (and refine) new tailored molecular compounds (electrochemical reagents) with elements from the p-block (gallium, indium, germanium, antimony) in combination with groups containing the chalcogens i.e. the elements selenium and tellurium; (ii) to use these as reagents for the growth of the binary & ternary alloy materials by electrochemical deposition into nano-structured silica or alumina templates comprised of very narrow parallel pores with well-defined diameters between 1000 nm and 2 nm; (iii) characterisation of the deposited materials to determine the element ratios present (composition), their crystal structures, and phase change properties;(iv) deposition of the 'best' compositions into well-defined pores on a chip array to allow switching of the arrays memory cells in an actual device, hence demonstrating the true potential of this new approach.The team of investigators brings together a complementary and internationally unique set of skills and expertise to achieve these targets, while the input from our Project Partners, Ilika Technologies Ltd will add considerable value to the project.

Glass has been a key material for many important advances in civilization; it was glass lenses which allowed microscopes to see bacteria for the first time and telescopes which revealed the planets and the moons of Jupiter. Glassware itself has contributed to the development of chemical, biological and cultural progress for thousands of years. The transformation of society with glass continues in modern times; as strands of glass optical fibres transform the internet and how we communicate. Today, glasses have moved beyond transparent materials, and through ongoing research have become active advanced and functional materials. Unlike conventional glasses made from silica or sand, research is now producing glasses from materials such as sulphur, which yields an unusual, yellow orange glass with incredibly varied properties. This next generation of speciality glasses are noted for their functionality and their ability to respond to optical, electrical and thermal stimuli. These glasses have the ability to switch, bend, self-organize and darken when exposed to light, they can even conduct electricity. They transmit light in the infra-red, which ordinary glass blocks and the properties of these glasses can even change, when strong light is incident upon them. The demand for speciality glass is growing and these advanced materials are of national importance for the UK. Our businesses that produce and process materials have a turnover of around £170 billion per annum; represent 15% of the country's GDP and have exports valued at £50 billion. With our proposed research programme we will produce extremely pure, highly functional glasses, unique to the world. The aims of our proposed research are as follows: - To establish the UK as a world-leading speciality glass research and manufacturing facility - To discovery new and optimize existing glass compositions, particularly in glasses made with sulphur - To develop links with UK industry and help them to exploit these new glass materials - To demonstrate important new electronic, telecommunication, switching devices from these glasses - To partner other UK Universities to explore new and emerging applications of speciality glass To achieve these goals we bring together a world-class, UK team of physicists, chemists, engineers and computer scientists from Southampton, Exeter, Oxford, Cambridge and Heriot-Watt Universities. We are partners with over 15 UK companies who will use these materials in their products or contribute to new ways of manufacturing them. This proposal therefore provides a unique opportunity to underpin a substantial national programme in speciality-glass manufacture, research and development.