S. Hull
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View article: Negative linear compressibility and complex phase behaviour in <sup>7</sup>Li<sub>2</sub>CO<sub>3</sub>
Negative linear compressibility and complex phase behaviour in <sup>7</sup>Li<sub>2</sub>CO<sub>3</sub> Open
We present a combination of neutron powder-diffraction measurements demonstrating negative linear compressibility and irregular thermal expansion in 7 Li 2 CO 3 .
View article: Adaptive kinetic Monte Carlo analysis of healing mechanisms in radiation damaged pyrochlore Gd2Ti2O7.
Adaptive kinetic Monte Carlo analysis of healing mechanisms in radiation damaged pyrochlore Gd2Ti2O7. Open
Disposal of high-level radioactive waste has been a long-standing problem requiring methods for evaluating the level and type of damage as well as linking the level of crystal damage to leaching of radionuclides from the matrix and dissolu…
View article: Dopant clustering and vacancy ordering in neodymium doped ceria
Dopant clustering and vacancy ordering in neodymium doped ceria Open
Reverse Monte Carlo analysis of total neutron scattering data on neodymium doped ceria reveals details of local structure including dopant–oxide ion vacancy association, dopant clustering and oxide ion vacancy pair ordering in the 〈100〉 di…
View article: Investigation of sodium insertion in hard carbon with <i>operando</i> small angle neutron scattering
Investigation of sodium insertion in hard carbon with <i>operando</i> small angle neutron scattering Open
Suggested sodiation mechanism of hard carbon during discharge from operando small angle neutron scattering data analysis.
View article: CSD 2255442: Experimental Crystal Structure Determination
CSD 2255442: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Neutron and muon characterisation techniques for battery materials
Neutron and muon characterisation techniques for battery materials Open
Neutron and muon characterisation techniques offer unique capabilities for investigating the complex structure and dynamics of rechargeable battery systems.
View article: Phase behaviour of ammonium bromide-d <sub>4</sub> under high pressure and low temperature; an average and local structure study
Phase behaviour of ammonium bromide-d <sub>4</sub> under high pressure and low temperature; an average and local structure study Open
We revisit the pressure-induced order–disorder transition between phases II and IV in ammonium bromide- d 4 using neutron diffraction measurements to characterise both the average and local structures. We identify a very sluggish transitio…
View article: Perspectives for next generation lithium-ion battery cathode materials
Perspectives for next generation lithium-ion battery cathode materials Open
Transitioning to electrified transport requires improvements in sustainability, energy density, power density, lifetime, and approved the cost of lithium-ion batteries, with significant opportunities remaining in the development of next-ge…
View article: The upgraded Polaris powder diffractometer at the ISIS neutron source
The upgraded Polaris powder diffractometer at the ISIS neutron source Open
This paper describes the design and operation of the Polaris time-of-flight powder neutron diffractometer at the ISIS pulsed spallation neutron source, Rutherford Appleton Laboratory, UK. Following a major upgrade to the diffractometer in …
View article: Neutron diffraction studies of energy materials
Neutron diffraction studies of energy materials Open
Stephen (The ISIS Facility, Didcot, GBR
View article: Teaching Explicit Programming Strategies to Adolescents
Teaching Explicit Programming Strategies to Adolescents Open
One way to teach programming problem solving is to teach explicit, step-by-step strategies. While prior work has shown these to be effective in controlled settings, there has been little work investigating their efficacy in classrooms. We …
View article: Defect structure in δ-Bi<sub>5</sub>PbY<sub>2</sub>O<sub>11.5</sub>
Defect structure in δ-Bi<sub>5</sub>PbY<sub>2</sub>O<sub>11.5</sub> Open
Total neutron scattering analysis and ab initio MD simulations reveal details of oxide ion vacancy ordering and migration pathways.
View article: New Opportunities for Air Cathode Batteries; in-Situ Neutron Diffraction Measurements
New Opportunities for Air Cathode Batteries; in-Situ Neutron Diffraction Measurements Open
Batteries with air electrodes are gaining interest as Energy Storage Systems (ESSs) for Electrical Vehicles (EVs) because of their high specific energy density. The electrochemical performance of these batteries is limited by the metallic …
View article: Stannate Increases Hydrogen Evolution Overpotential on Rechargeable Alkaline Iron Electrodes
Stannate Increases Hydrogen Evolution Overpotential on Rechargeable Alkaline Iron Electrodes Open
Alkaline iron electrodes present some challenges for use in secondary batteries that are associated with low coulombic efficiency and discharge utilization. Low coulombic efficiency is correlated to the hydrogen evolution reaction that tak…
View article: C-type related order in the defective fluorites La<sub>2</sub>Ce<sub>2</sub>O<sub>7</sub> and Nd<sub>2</sub>Ce<sub>2</sub>O<sub>7</sub> studied by neutron scattering and ab initio MD simulations
C-type related order in the defective fluorites La<sub>2</sub>Ce<sub>2</sub>O<sub>7</sub> and Nd<sub>2</sub>Ce<sub>2</sub>O<sub>7</sub> studied by neutron scattering and ab initio MD simulations Open
We present a structural investigation of La2−xNdxCe2O7 using molecular dynamics, in addition to X-ray powder diffraction and total scattering neutron powder diffraction, analysed using Rietveld refinement and the reverse Monte Carlo method.
View article: Crystal structure and proton conductivity of BaSn<sub>0.6</sub>Sc<sub>0.4</sub>O<sub>3−δ</sub>: insights from neutron powder diffraction and solid-state NMR spectroscopy
Crystal structure and proton conductivity of BaSn<sub>0.6</sub>Sc<sub>0.4</sub>O<sub>3−δ</sub>: insights from neutron powder diffraction and solid-state NMR spectroscopy Open
BaSn0.6Sc0.4O3−δ: location of the proton using neutrons with insights into its high conductivity and local environment using EIS and NMR.
View article: CSD 1786251: Experimental Crystal Structure Determination
CSD 1786251: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…