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Instruments / Technical Area	Publication Details	Published
	2021 roadmap for sodium-ion batteries Nuria Tapia-Ruiz , A. Robert Armstrong , Hande Alptekin , Marco A. Amores , Heather Au , Jerry Barker , Rebecca Boston , William R Brant , Jake M. Brittain , Yue Chen , Manish Chhowalla , Yong-Seok Choi , Sara I. R. Costa , Maria Crespo Ribadeneyra , Serena A Cussen , Edmund J. Cussen , William I. F. David , Aamod V Desai , Stewart A. M. Dickson , Emmanuel I. Eweka , Juan D. Forero-Saboya , Clare Grey , John M. Griffin , Peter Gross , Xiao Hua , John T. S. Irvine , Patrik Johansson , Martin O. Jones , Martin Karlsmo , Emma Kendrick , Eunjeong Kim , Oleg V Kolosov , Zhuangnan Li , Stijn F L Mertens , Ronnie Mogensen , Laure Monconduit , Russell E Morris , Andrew J. Naylor , Shahin Nikman , Christopher A O’keefe , Darren M. C. Ould , Robert G. Palgrave , Philippe Poizot , Alexandre Ponrouch , Stéven Renault , Emily M. Reynolds , Ashish Rudola , Ruth Sayers , David O. Scanlon , S. Sen , Valerie R. Seymour , Begoña Silván , Moulay Tahar Sougrati , Lorenzo Stievano , Grant S. Stone , Chris I. Thomas , Maria-Magdalena Titirici , Jincheng Tong , Thomas J. Wood , Dominic S Wright , Reza Younesi Journal Of Physics: Energy 3 DOI: 10.1088/2515-7655/ac01ef Open Access Show Abstract ▼ Abstract: Increasing concerns regarding the sustainability of lithium sources, due to their limited availability and consequent expected price increase, have raised awareness of the importance of developing alternative energy-storage candidates that can sustain the ever-growing energy demand. Furthermore, limitations on the availability of the transition metals used in the manufacturing of cathode materials, together with questionable mining practices, are driving development towards more sustainable elements. Given the uniformly high abundance and cost-effectiveness of sodium, as well as its very suitable redox potential (close to that of lithium), sodium-ion battery technology offers tremendous potential to be a counterpart to lithium-ion batteries (LIBs) in different application scenarios, such as stationary energy storage and low-cost vehicles. This potential is reflected by the major investments that are being made by industry in a wide variety of markets and in diverse material combinations. Despite the associated advantages of being a drop-in replacement for LIBs, there are remarkable differences in the physicochemical properties between sodium and lithium that give rise to different behaviours, for example, different coordination preferences in compounds, desolvation energies, or solubility of the solid–electrolyte interphase inorganic salt components. This demands a more detailed study of the underlying physical and chemical processes occurring in sodium-ion batteries and allows great scope for groundbreaking advances in the field, from lab-scale to scale-up. This roadmap provides an extensive review by experts in academia and industry of the current state of the art in 2021 and the different research directions and strategies currently underway to improve the performance of sodium-ion batteries. The aim is to provide an opinion with respect to the current challenges and opportunities, from the fundamental properties to the practical applications of this technology.	Jul 2021
	Degradation in lithium ion battery current collectors Liya Guo , Daisy B. Thornton , Mohamed A. Koronfel , Ifan E. L. Stephens , Mary P. Ryan Journal Of Physics: Energy DOI: 10.1088/2515-7655/ac0c04 Open Access Show Abstract ▼ Abstract: Lithium ion battery technology is the state-of-the-art rechargeable energy storage technology for electric vehicles, stationary energy storage and personal electronics. However, a wide variety of degradation effects still contribute to performance limitations. The metallic copper and aluminium current collectors in a lithium ion battery can be subject to dissolution or other reactions with the electrolytes. Corrosion of these metal foils is significantly detrimental to the overall performance of a lithium ion battery, however the mechanisms of this degradation are poorly understood. This review summarises the key effects contributing to metal current collector degradation in lithium ion batteries as well as introduces relevant corrosion and lithium ion battery principles. By developing the understanding of these complex chemistries, lithium ion battery degradation can be mitigated, enabling safer operation and longer lifetimes.	Jun 2021
	Roadmap on inorganic perovskites for energy applications John Irvine , Jennifer Rupp , Gang Liu , Xiaoxiang Xu , Sossina M Haile , Xin Qian , Alem Snyder , Robert Freer , Dursun Ekren , Stephen Skinner , Ozden Celikbilek , Shigang Chen , Shanwen Tao , Tae Ho Shin , Ryan O'Hayre , Jake Huang , Chuancheng Duan , Meagan Papac , Shuangbin Li , Andrea Russell , Veronica Celorrio , Brian Hayden , Hugo Nolan , Xiubing Huang , Ge Wang , Ian Metcalfe , Dragos Neagu , Susana Garcia Martin Journal Of Physics: Energy DOI: 10.1088/2515-7655/abff18 Open Access Show Abstract ▼ Abstract: Inorganic perovskites exhibit many important physical properties such as ferroelectricity, magnetoresistance and superconductivity as well their importance as Energy Materials. Many of the most important energy materials are inorganic perovskites and find application in batteries, fuel cells, photocatalysts, catalysis, thermoelectrics and solar thermal. In all these applications, perovskite oxides, or their derivatives offer highly competitive performance, often state of the art and so tend to dominate research into energy material. In the following sections, we review these functionalities in turn seeking to facilitate the interchange of ideas between domains. The potential for improvement is explored and we highlight the importance of both detailed modelling and in situ and operando studies in taking these materials forward.	May 2021
I12-JEEP: Joint Engineering, Environmental and Processing	Time-resolved in-situ X-ray diffraction study of CaO and CaO:Ca3Al2O6 composite catalysts for biodiesel production A. Damiano Bonaccorso , Despoina Papargyriou , Aida Fuente Cuesta , Oxana Magdysyuk , Stefan Michalik , Thomas Connolley , Julia Louise Payne , John Irvine Journal Of Physics: Energy DOI: 10.1088/2515-7655/ac0413 Diamond Proposal Number(s): [20820] Open Access Show Abstract ▼ Abstract: Alternative and sustainable waste sources are receiving increasing attention as they can be used to produce biofuels with a low carbon footprint. Waste fish oil is one such example and can be considered an abundant and sustainable waste source to produce biodiesel. Ultimately this could lead to fishing communities having their own "off-grid" source of fuel for boats and vehicles. At the industrial level biodiesel is currently produced by homogeneous catalysis because of the high catalyst activity and selectivity. In contrast, heterogeneous catalysis offers several advantages such as improved reusability, reduced waste and lower processing costs. Here we investigate the phase evolution of two heterogeneous catalysts, CaO and a Ca3Al2O6:CaO ('C3A:CaO') composite, under in-situ conditions for biodiesel production from fish oil. A new reactor was designed to monitor the evolution of the crystalline catalyst during the reaction using synchrotron powder X-ray diffraction (PXRD). The amount of calcium diglyceroxide (CaDG) began to increase rapidly after approximately 30 minutes, for both catalysts. This rapid increase in CaDG could be linked to ex-situ NMR studies which showed that the conversion of fish oil to biodiesel rapidly increased after 30 minutes. The key to the difference in activity of the two catalysts appears to be that the Ca3Al2O6:CaO composite maintains a high rate of calcium diglyceroxide formation for longer than CaO, although the initial formation rates and reaction kinetics are similar. Overall this specialised in-situ set-up has been shown to be suitable to monitor the phase evolution of heterogeneous crystalline catalysts during the triglycerides transesterification reaction, offering the opportunity to correlate the crystalline phases to activity, deactivation and stability.	May 2021
I11-High Resolution Powder Diffraction	Thermal properties of TiNiSn and VFeSb half-Heusler thermoelectrics from synchrotron X-ray powder diffraction Daniella Ferluccio , Blair Fitzgerald Kennedy , Sonia Barczak , Srinivas Popuri , Claire Murray , Michael Pollet , Jan-Willem Bos Journal Of Physics: Energy DOI: 10.1088/2515-7655/abf41a Diamond Proposal Number(s): [17825] Open Access Show Abstract ▼ Abstract: Half-Heusler alloys are an important class of thermoelectric materials that combine promising performance with good engineering properties. This manuscript reports a variable temperature synchrotron X-ray diffraction study of several TiNiSn- and VFeSb-based half-Heuslers. A Debye model was found to capture the main trends in thermal expansion and atomic displacement parameters. The linear thermal expansion coefficient α(T) of the TiNiSn based samples was found to be independent of alloying or presence of Cu interstitials with αav = 10.1 × 10-6 K-1 between 400-850 K. The α(T) of VFeSb and TiNiSn are well-matched, but NbFeSb has a much reduced αav = 8.9 × 10-6 K-1, caused by a stiffer lattice structure. This is confirmed by analysis of the Debye temperatures, which indicate significantly larger bond force constants for all atomic sites in NbFeSb. This work also reveals substantial amounts of Fe interstitials in VFeSb, whilst these are absent for NbFeSb. The Fe interstitials are linked to low thermal conductivities, but also reduce the bandgap and lower the onset of thermal bipolar transport.	Mar 2021
	Accelerating the development of new solar absorbers by photoemission characterization coupled with density functional theory Tim D. Veal , David O. Scanlon , Robert Kostecki , Elisabetta Arca Journal Of Physics: Energy 3 DOI: 10.1088/2515-7655/abebc9 Open Access Show Abstract ▼ Abstract: The expectation to progress towards Terawatts production by solar technologies requires continuous development of new materials to improve efficiency and lower the cost of devices beyond what is currently available at industrial level. At the same time, the turnaround time to make the investment worthwhile is progressively shrinking. Whereas traditional absorbers have developed in a timeframe spanning decades, there is an expectation that emerging materials will be converted into industrially relevant reality in a much shorter timeframe. Thus, it becomes necessary to develop new approaches and techniques that could accelerate decision-making steps on whether further research on a material is worth pursuing or not. In this review, we will provide an overview of the photoemission characterization methods and theoretical approaches that have been developed in the past decades to accelerate the transfer of emerging solar absorbers into efficient devices.	Mar 2021
	Hydrogen production by the photo-reforming of methanol and the photocatalytic water gas shift reaction Julia Kennedy , James Hayward , Philip Davies , Michael Bowker Journal Of Physics: Energy DOI: 10.1088/2515-7655/abdd82 Open Access Show Abstract ▼ Abstract: We have examined the reforming of methanol and CO on Pd/P25 TiO2 catalysts for hydrogen production, and compared it with rates for similarly supported Au and Cu catalysts. Both reactions proceed, but the photocatalytic water gas shift reaction is much slower than for methanol reforming. CO2 is evolved as expected, but the yields can be much lower than for the expected stoichiometry (CH3OH + H2O  CO2 + 3H2). We show that this is due to dissolution of the carbon dioxide into the aqueous phase. We have also carried out both reactions in the gas phase. Both proceed at a higher rate in the gas phase, and for methanol reforming, there is some CO evolution. In H2 + CO2 reactions, there is little sign of the reverse water gas shift reaction, but some photo-methanation does occur. Of the three catalysts Pd is the best for the methanol reforming reaction, while Au is best for the water gas shift. Nonetheless, Cu works reasonably well for methanol reforming and makes a much cheaper, earth-abundant catalyst.	Jan 2021
I09-Surface and Interface Structural Analysis	Effects of nitridation on SiC/SiO2 structures studied by hard x-ray photoelectron spectroscopy Judith Veronika Berens , Sebastian Bichelmaier , Nathalie K. Fernando , Pardeep Kumar Thakur , Tien-Lin Lee , Manfred Mascheck , Tomas Wiell , Susanna K. Eriksson , J. Matthias Kahk , Johannes Lischner , Manesh Mistry , Thomas Aichinger , Gregor Pobegen , Anna Regoutz Journal Of Physics: Energy DOI: 10.1088/2515-7655/ab8c5e Diamond Proposal Number(s): [19885] Open Access Show Abstract ▼ Abstract: SiC is set to enable a new era in power electronics impacting a wide range of energy technologies, from electric vehicles to renewable energy. Its physical characteristics outperform silicon in many aspects, including band gap, breakdown field, and thermal conductivity. The main challenge for further development of SiC-based power semiconductor devices is the quality of the interface between SiC and its native dielectric SiO2. High temperature nitridation processes can improve the interface quality and ultimately the device performance immensely, but the underlying chemical processes are still poorly understood. Here, we present an energy-dependent hard X-ray photoelectron spectroscopy (HAXPES) study probing non-destructively SiC and SiO2 and their interface in device stacks treated in varying atmospheres. We successfully combine laboratory- and synchrotron-based HAXPES to provide unique insights into the chemistry of interface defects and their passivation through nitridation processes.	Apr 2020

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