Prospective Cohort Study

Energy production and storage have become key issues concerning our welfare in daily life. Present challenges for batteries are twofold. In the first place, the increasing demand for powering systems of portable electronic devices and zero-emission vehicles stimulates research towards high energy and high voltage systems. In the second place, low cost batteries are required in order to advance towards smart electric grids that integrate discontinuous energy flow from renewable sources, optimizing the performance of clean energy sources. Na-ion batteries can be the key for the second point, because of the huge availability of sodium, its low price and the similarity of both Li and Na insertion chemistries. In spite of the lower energy density and voltage of Na-ion based technologies, they can be focused on applications where the weight and footprint requirement is less drastic, such as electrical grid storage. Much work has to be done in the field of Na-ion in order to catch up with Li-ion technology. Cathodic and anodic materials must be optimized, and new electrolytes will be the key point for Na-ion success. This review will gather the up-to-date knowledge about Na-ion battery materials, with the aim of providing a wide view of the systems that have already been explored and a starting point for the new research on this battery technology.

Na-ion batteries, recent advances and present challenges to become low cost energy storage systems

The General Utility Lattice Program (GULP) has been extended to include the ability to simulate polymers and surfaces, as well as adding many other new features, and the current status of the program is fully documented. Both the background theory is described, as well as providing a concise review of some of the previous applications in order to demonstrate the range of its use. Examples are presented of work performed using the new compatibilities of the software, including the calculation of Born effective charges, mechanical properties as a function of applied pressure, calculation of frequency-dependent dielectric data, surface reconstructions of calcite and the performance of a linear-scaling algorithm for bond-order potentials.

The general utility lattice program (GULP)

Although known since the late 19th century, organic–inorganic perovskites have recently received extraordinary research community attention because of their unique physical properties, which make them promising candidates for application in photovoltaic (PV) and related optoelectronic devices. This review will explore beyond the current focus on three-dimensional (3-D) lead(II) halide perovskites, to highlight the great chemical flexibility and outstanding potential of the broader class of 3-D and lower dimensional organic-based perovskite family for electronic, optical, and energy-based applications as well as fundamental research. The concept of a multifunctional organic–inorganic hybrid, in which the organic and inorganic structural components provide intentional, unique, and hopefully synergistic features to the compound, represents an important contemporary target.

Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design

Synthesis, properties, and applications of magnetic iron oxide nanoparticles

Although there is trial evidence that complex interventions are effective for the self-management of heart failure, little evidence supports their effectiveness in routine practice We used Social Practice Theory to guide a Type 1 Hybrid Trial: a mixed methods process evaluation of a complex intervention for heart failure The objective of this paper is to explore the value of Social Practice Theory for implementation science Social Practice Theory informed a mixed methods process evaluation of a multi-centre randomised controlled trial of a 12 week home-based intervention to optimise self-care support for people with heart failure and their caregivers - Rehabilitation EnAblement in Chronic Heart Failure (REACH-HF) Interviews were conducted with 19 people with heart failure and 17 caregivers at 4 months and 12 months after recruitment into the trial Cases were constructed at the level of the individual, couple, facilitator and centre; and included multi-modal process and outcome data Evaluative coding and subsequent within- and cross-case analyses enabled the development of a typology of relationships linking fidelity of intervention delivery and tailoring of content to individual needs and concerns Social Practice Theory was used to interrogate the relationships between elements of the intervention and their implementation Of 216 trial participants, 107 were randomised to the intervention (REACH-HF plus usual care) The intervention was most effective when fidelity was high and delivery was tailored to the individual’s needs, but less effective when both tailoring and fidelity were low Theory-based analysis enabled us to model complex relationships between intervention elements (competencies, materials and meanings) and social context The findings illustrate how intervention fidelity and tailoring are contextual and how the effectiveness of the REACH-HF intervention depended on both optimal alignment and implementation of these elements The study demonstrates the utility of theory-based analysis which integrates data from multiple sources to highlight contexts and circumstances in which interventions work best Social Practice Theory provides a framework for guiding and analysing the processes by which a complex intervention is evaluated in a clinical trial, and has the potential to guide context-specific implementation strategies for clinical practice ISRCTN, 
IISRCTN86234930

 Registered 13th November 2014

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The value of social practice theory for implementation science: learning from a theory-based mixed methods process evaluation of a randomised controlled trial.

The design and synthesis of new superconducting phases containing oxyanions such as CO 3 2- , SO 4 2- , PO 4 3- and BO 3 3- are discussed. The underlying structural principles for the successful incorporation of these ions into perovskites and cuprate materials are described, and the types of phases which result are reviewed. The synthesis, structure and electrical properties of new oxyfluoride superconductors are described, and their significance in the design and synthesis of new metastable superconducting cuprates is reviewed.

Chemical design and synthesis of oxyanion and oxyfluoride cuprate superconductors

Designing interventions to change health-related behaviour

Ferrous antimonite, FeSb2O4, which is isostructural with Pb3O4, and some lead- and cobalt-doped variants of composition FeSb1.5Pb0.5O4 and Co0.5Fe0.5Sb1.5Pb0.5O4 have been examined by 57Fe and 121Sb Mossbauer spectroscopy. Antimony is present as Sb3+. The presence of Pb2+ on the antimony site induces partial oxidation of Fe2+ to Fe3+. There is no Verwey-type transition in which electrons are shared between iron in different oxidation states. The quasi-one-dimensional magnetic structure gives rise to situations in which weakly coupled Fe2+ ions can coexist in a non-magnetic state alongside Fe3+ ions in a magnetically ordered state.

http://iopscience.iop.org/article/10.1088/0953-8984/24/27/276001/pdf

Magnetic interaction in ferrous antimonite, FeSb2O4, and some derivatives.

This paper discusses the effects of cation substitutions on the structural (and linked electronic) transition which has been observed in Na0.63CoO2. The effects of the following substitutions are reported: Ca on the Na site; Fe and Ni on the Co site. Ca doping suppresses the transition and is suggested to interfere with the Na ordering and hence causes a variation in the electronic structure. Fe and Ni doped samples all show transitions, but the transition temperature decreases with the dopant cation concentration. This implies that the replacement of Co by Fe and Ni may enhance the instability in the low-temperature regime. The influence of the substitution is also reflected in the structure and magnetic behaviour of the doped samples.

Colin Greaves

Papers

The value of social practice theory for implementation science: learning from a theory-based mixed methods process evaluation of a randomised controlled trial.

Chemical design and synthesis of oxyanion and oxyfluoride cuprate superconductors

Designing interventions to change health-related behaviour

Magnetic interaction in ferrous antimonite, FeSb2O4, and some derivatives.

Substitution effects on the structural and magnetic behaviour of Na0.63CoO2