A5019995811- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Metal-Organic Frameworks: Synthesis and Applications
- Crystallography and molecular interactions
- Nuclear Physics and Applications
- Covalent Organic Framework Applications
- Advanced Chemical Physics Studies
- Atomic and Subatomic Physics Research
- Radiation Detection and Scintillator Technologies
- Catalytic Processes in Materials Science
- High-pressure geophysics and materials
- Quantum, superfluid, helium dynamics
- Spectroscopy and Quantum Chemical Studies
- Ionic liquids properties and applications
- Molecular Spectroscopy and Structure
- Material Dynamics and Properties
- Atmospheric Ozone and Climate
- Catalysis and Oxidation Reactions
- Methane Hydrates and Related Phenomena
- Solid-state spectroscopy and crystallography
- CO2 Sequestration and Geologic Interactions
- Spectroscopy and Laser Applications
- Catalysis for Biomass Conversion
- Inorganic Fluorides and Related Compounds
- Atmospheric aerosols and clouds
Rutherford Appleton Laboratory
2016-2025
ISIS Neutron and Muon Source
2020-2025
Science and Technology Facilities Council
2018-2024
University of Oxford
2011-2020
Didcot Community Hospital
2016-2019
Chilton Medical Center
2017-2019
Oxfam
2016-2018
Devon History Society
2017
Research Complex at Harwell
2016
University of Bristol
2000-2011
Selective adsorption of SO2 is realized in a porous metal–organic framework material, and in-depth structural spectroscopic investigations using X-rays, infrared, neutrons define the underlying interactions that cause to bind more strongly than CO2 N2. There ever-increasing concern over global air quality, with high concentrations smog posing significant health risks worldwide, particularly major cities heavy industry population densities. The World Health Organization (WHO) suggests poor...
During nuclear waste disposal process, radioactive iodine as a fission product can be released. The widespread implementation of sustainable energy thus requires the development efficient stores that have simultaneously high capacity, stability and more importantly, storage density (and hence minimized system volume). Here, we report I2 adsorption in series robust porous metal–organic materials, MFM-300(M) (M = Al, Sc, Fe, In). MFM-300(Sc) exhibits fully reversible uptake 1.54 g g–1, its...
We present an unambiguous identification of low-frequency terahertz vibrations in the archetypal imidazole-based metal-organic framework (MOF) materials: ZIF-4, ZIF-7, and ZIF-8, all which adopt a zeolite-like nanoporous structure. Using inelastic neutron scattering synchrotron radiation far-infrared absorption spectroscopy, conjunction with density functional theory (DFT), we have pinpointed major sources vibrational modes. Ab initio DFT calculations revealed complex nature collective THz...
The production of MOFs at large scale in a sustainable way is key if these materials are to be exploited for their promised widespread application. Much the published literature has focused on demonstrations preparation routes using difficult or expensive methodologies scale. One such MOF nano-zeolitic imidazolate framework-8 (ZIF-8) - material interest range possible applications. Work presented here shows how synthesis ZIF-8 can tracked by methods including X-ray diffraction, thermo...
Ammonia (NH3) is a promising energy resource owing to its high hydrogen density. However, widespread application restricted by the lack of efficient and corrosion-resistant storage materials. Here, we report NH3 adsorption in series robust metal–organic framework (MOF) materials, MFM-300(M) (M = Fe, V, Cr, In). VIII, Cr) show fully reversible capacity for >20 cycles, reaching capacities 16.1, 15.6, 14.0 mmol g–1, respectively, at 273 K 1 bar. Under same conditions, MFM-300(VIV) exhibits...
The development of porous solids for adsorptive separation propylene and propane remains an important challenging line research. State-of-the-art sorbent materials often suffer from the trade-off between adsorption capacity selectivity. Here, we report regulated in a metal-organic framework via designed pore distortion. distorted structure HIAM-301 successfully excludes thus achieved simultaneously high selectivity (>150) large (∼3.2 mmol/g) at 298 K 1 bar. Dynamic breakthrough measurements...
The solids choline chloride and urea, mixed in a 1 : 2 molar proportion, form the iconic deep eutectic solvent "Reline". A combination of computational vibrational spectroscopy tools, including inelastic neutron scattering (INS), have been used to probe intermolecular interactions mixture. Reline's experimental spectra were estimated using discrete periodic ab initio calculations molecular aggregate with two four urea units. This is minimum size required achieve satisfactory agreement...
A thorough vibrational spectroscopy and molecular modeling study on poly(ethylene 2,5-furandicarboxylate) (PEF) explores its conformational preferences, in the amorphous crystalline regions, while clarifying structure–property correlations. Despite increasing relevance of PEF as a sustainable polymer, some unique characteristics are not yet fully understood benefit from deeper comprehension microstructure intermolecular bonding. Results show that domains, where interactions weak, chains...
The formation of methane hydrates on MOFs has been identified for the first time using inelastic neutron scattering and synchrotron X-ray powder diffraction.
TOSCA is a high-resolution neutron spectrometer at the ISIS Pulsed Neutron and Muon Source.The instrument optimised for broadband vibrational spectroscopy in 0 -4000 cm -1 region it has been operational since 2000.This paper describes how progressively upgraded intervening years to enable new science.Future upgrades are outlined.
Activated carbons and related Pd-based catalysts are investigated with a multi-techniques approach, which allows correlating structure performance.
Abstract Incorporation of mesopores and active sites into metal-organic framework (MOF) materials to uncover new efficient catalysts is a highly desirable but challenging task. We report the first example mesoporous MOF obtained by templated electrosynthesis using an ionic liquid as both electrolyte template. The Cu(II)-MOF MFM-100 has been synthesised in 100 seconds at room temperature, this material incorporates crystal defects with uncoupled Cu(II) centres evidenced confocal fluorescence...
Metal–organic framework (MOF) materials provide an excellent platform to fabricate single-atom catalysts due their structural diversity, intrinsic porosity, and designable functionality. However, the unambiguous identification of atomically dispersed metal sites elucidation role in catalysis are challenging limited methods characterization lack direct information. Here, we report a comprehensive investigation structure copper UiO-66 for catalytic reduction NO2 at ambient temperature. The...
Abstract Stimuli-responsive behaviors of flexible metal–organic frameworks (MOFs) make these materials promising in a wide variety applications such as gas separation, drug delivery, and molecular sensing. Considerable efforts have been made over the last decade to understand structural changes MOFs response external stimuli. Uniform pore deformation has used general description. However, recent advances synthesizing with non-uniform porous structures, i.e. multiple types pores which vary...
Industrial purification of propylene and ethylene requires cryogenic distillation selective hydrogenation over palladium catalysts to remove propane, ethane and/or trace amounts acetylene. Here, we report the excellent separation equimolar mixtures propylene/propane ethylene/ethane, a 1/100 mixture acetylene/ethylene by highly robust microporous material, MFM-520, under dynamic conditions. In situ synchrotron single crystal X-ray diffraction, inelastic neutron scattering analysis adsorption...
The presence of active sites in metal-organic framework (MOF) materials can control and affect their performance significantly adsorption catalysis. However, revealing the interactions between substrate MOFs at atomic precision remains a challenging task. Here, we report direct observation binding NH3 series UiO-66 containing atomically dispersed defects open Cu(I) Cu(II) sites. While all this exhibit similar surface areas (1111-1135 m2 g-1), decoration -OH site UiO-66-defect with results...
Capture of trace benzene is an important and challenging task. Metal-organic framework materials are promising sorbents for a variety gases, but their limited capacity towards at low concentration remains unresolved. Here we report the adsorption by decorating structural defect in MIL-125-defect with single-atom metal centres to afford MIL-125-X (X = Mn, Fe, Co, Ni, Cu, Zn; MIL-125, Ti
The effect of a graphitization treatment on the phyisico-chemical properties an activated carbon have been studied by means multi-technical approach. Inelastic neutron scattering and DRIFT spectroscopy revealed modifications occurring at material borders, involving H-containing species O-containing functional groups. Information structural were obtained Raman X-Ray Powder Diffraction.
Hydrogen bonds dominate many chemical and biological processes, modification enables control modulation of host-guest systems. Here we report a targeted hydrogen bonding its effect on guest binding in redox-active materials. MFM-300(VIII) {[VIII2(OH)2(L)], LH4=biphenyl-3,3',5,5'-tetracarboxylic acid} can be oxidized to isostructural MFM-300(VIV), [VIV2O2(L)], which deprotonation the bridging hydroxyl groups occurs. shows second highest CO2 uptake capacity metal-organic framework materials at...
We show clear experimental evidence of cooperative terahertz (THz) dynamics observed below 3 THz ($\ensuremath{\sim}100\text{ }\text{ }{\mathrm{cm}}^{\ensuremath{-}1}$), for a low-symmetry Zr-based metal-organic framework structure, termed MIL--140A [$\mathrm{ZrO}({\mathrm{O}}_{2}{\mathrm{C}\text{\ensuremath{-}}\mathrm{C}}_{6}{\mathrm{H}}_{4}\text{\ensuremath{-}}{\mathrm{CO}}_{2})$]. Utilizing combination high-resolution inelastic neutron scattering and synchrotron radiation far-infrared...
Here we report direct physical evidence that confinement of molecular hydrogen (H2) in an optimized nanoporous carbon results accumulation with characteristics commensurate solid H2 at temperatures up to 67 K above the liquid–vapor critical temperature bulk H2. This extreme densification is attributed molecules optimally sized micropores, and occurs pressures as low 0.02 MPa. The quantities contained, solid-like increased pressure were directly evaluated using situ inelastic neutron...