Search Results

You searched for all publications:

with publication states 'Published (Approved)'

Search Again...

These results only include publications that have been reviewed and processed by Diamond Light Source. To also view papers that have not yet been processed click here.

You can use the folder icon under Actions to collate papers as required. You can then click on View Folder in the left-hand navigation to review and/or download your folder.

Exact matches
Related results

9 items found (0 items not approved), displaying all items.1

Instruments / Technical Area	Publication Details	Published
I15-1-X-ray Pair Distribution Function (XPDF)	Structure dependence of fracture toughness and ionic conductivity in lithium borophosphate glassy electrolytes for all-solid-state batteries Zhimin Chen , Tao Du , Søren S. Sørensen , Rasmus Christensen , Qi Zhang , Lars R. Jensen , Oxana Magdysyuk , Maria Diaz-Lopez , Mathieu Bauchy , Yuanzheng Yue , Morten M. Smedskjaer Journal Of Power Sources 553 DOI: 10.1016/j.jpowsour.2022.232302 Diamond Proposal Number(s): [30401] Open Access Show Abstract ▼ Abstract: Glass materials are potential candidates as solid electrolytes for batteries, but the atomistic origins of the variations in their properties and functionalities with composition are not well understood. Here, based on combined experimental and simulation techniques, we investigate the structural origin of the variation in fracture toughness and ionic conductivity of lithium borophosphate glass electrolytes with varying compositions. We focus on these properties since they are critically important for mechanical stability and electrochemical performances of glassy electrolytes. To this end, we have performed molecular dynamics simulations combined with X-ray total scattering experiments to provide the atomic picture of the disordered structure of borophosphate glass. The mechanical properties have been characterized through single-edge precracked beam measurements and axial tensile simulations. We find that the deformation and fracture behaviors of the electrolytes are governed by bond switching events of boron, which dissipate the strain energy during fracture. The migration of lithium ions in the electrolyte network is facilitated by hopping between superstructural rings, which reflects the important role of medium-range order structure in determining the lithium-ion diffusion. These findings have important implications for the design of future glassy electrolytes.	Nov 2022
I12-JEEP: Joint Engineering, Environmental and Processing	High-speed synchrotron X-ray imaging of glass foaming and thermal conductivity simulation Martin B. Østergaard , Manlin Zhang , Xiaomei Shen , Rasmus R. Petersen , Jakob König , Peter D. Lee , Yuanzheng Yue , Biao Cai Acta Materialia DOI: 10.1016/j.actamat.2020.02.060 Diamond Proposal Number(s): [16188] Show Abstract ▼ Abstract: Glass foams are attractive thermal insulation materials, thus, the thermal conductivity (λ) is crucial for their performance. Understanding the foaming process is critical for process optimization. Here, we applied high-speed synchrotron X-ray tomography to investigate the change in pore structure during the foaming process, quantifying the foam structures and porosity dynamically. The results can provide guidance for the manufacturing of glass foams. The 3D pore structures were also used to computationally determine λ of glass foams. We used the simulated λ to develop a new analytical model to predict the porosity dependence of λ. The λ values predicted by the new model are in excellent agreement with the experimental data collected from the literature, with an average error of only 0.7%, which performs better than previously proposed models.	Mar 2020
I15-1-X-ray Pair Distribution Function (XPDF)	Structural evolution in a melt-quenched zeolitic imidazolate framework glass during heat-treatment Jiayang Zhang , Louis Longley , Hao Liu , Christopher W. Ashling , Philip A. Chater , Kevin A. Beyer , Karena W. Chapman , Haizheng Tao , David A. Keen , Thomas D. Bennett , Yuanzheng Yue Chemical Communications DOI: 10.1039/C8CC09574D Diamond Proposal Number(s): [171151] Show Abstract ▼ Abstract: A pronounced enthalpy release occurs around 1.38 Tg in the prototypical metal-organic framework glass formed from ZIF-4 [Zn(C3H3N2)2], but there is no sign for any crystallization (i.e., long-range ordering) taking place. This behavior is in strong contrast to that for other families of melt-quenched glasses.	Feb 2019
I15-1-X-ray Pair Distribution Function (XPDF) I22-Small angle scattering & Diffraction	Metal-organic framework glasses with permanent accessible porosity Chao Zhou , Louis Longley , Andraž Krajnc , Glen J. Smales , Ang Qiao , Ilknur Erucar , Cara M. Doherty , Aaron W. Thornton , Anita J. Hill , Christopher W. Ashling , Omid T. Qazvini , Seok J. Lee , Philip A. Chater , Nicholas J. Terrill , Andrew J. Smith , Yuanzheng Yue , Gregor Mali , David A. Keen , Shane G. Telfer , Thomas D. Bennett Nature Communications 9 DOI: 10.1038/s41467-018-07532-z Diamond Proposal Number(s): [18236] Open Access Show Abstract ▼ Abstract: To date, only several microporous, and even fewer nanoporous, glasses have been produced, always via post synthesis acid treatment of phase separated dense materials, e.g. Vycor glass. In contrast, high internal surface areas are readily achieved in crystalline materials, such as metal-organic frameworks (MOFs). It has recently been discovered that a new family of melt quenched glasses can be produced from MOFs, though they have thus far lacked the accessible and intrinsic porosity of their crystalline precursors. Here, we report the first glasses that are permanently and reversibly porous toward incoming gases, without post-synthetic treatment. We characterize the structure of these glasses using a range of experimental techniques, and demonstrate pores in the range of 4 – 8 Å. The discovery of MOF glasses with permanent accessible porosity reveals a new category of porous glass materials that are elevated beyond conventional inorganic and organic porous glasses by their diversity and tunability.	Nov 2018
I15-1-X-ray Pair Distribution Function (XPDF) I22-Small angle scattering & Diffraction	Liquid phase blending of metal-organic frameworks Louis Longley , Sean Collins , Chao Zhou , Glen J. Smales , Sarah E. Norman , Nick J. Brownbill , Christopher W. Ashling , Philip A. Chater , Robert Tovey , Carola-Bibiane Schönlieb , Thomas F. Headen , Nicholas J. Terrill , Yuanzheng Yue , Andrew J. Smith , Frédéric Blanc , David Keen , Paul A. Midgley , Thomas Bennett Nature Communications 9 DOI: 10.1038/s41467-018-04553-6 Diamond Proposal Number(s): [171151, 18236] Open Access Show Abstract ▼ Abstract: The liquid and glass states of metal–organic frameworks (MOFs) have recently become of interest due to the potential for liquid-phase separations and ion transport, alongside the fundamental nature of the latter as a new, fourth category of melt-quenched glass. Here we show that the MOF liquid state can be blended with another MOF component, resulting in a domain structured MOF glass with a single, tailorable glass transition. Intra-domain connectivity and short range order is confirmed by nuclear magnetic resonance spectroscopy and pair distribution function measurements. The interfacial binding between MOF domains in the glass state is evidenced by electron tomography, and the relationship between domain size and Tg investigated. Nanoindentation experiments are also performed to place this new class of MOF materials into context with organic blends and inorganic alloys.	Jun 2018
I15-1-X-ray Pair Distribution Function (XPDF)	Thermodynamic features and enthalpy relaxation in a metal–organic framework glass Chao Zhou , Malwina Stepniewska , Louis Longley , Christopher W. Ashling , Philip A. Chater , David Keen , Thomas D. Bennett , Yuanzheng Yue Physical Chemistry Chemical Physics 423 DOI: 10.1039/C8CP02340A Diamond Proposal Number(s): [171151] Show Abstract ▼ Abstract: In this work, we explore the thermodynamic evolution in a melt-quenched metal–organic framework glass, formed from ZIF-62 upon heating to the melting point (Tm), and subsequent enthalpy relaxation. The temperature dependence of the difference in Gibbs free energy between the liquid and crystal states of ZIF-62 in the temperature range from the glass transition temperature (Tg) to Tm is found to be weaker than those of other types of glasses, e.g., metallic glasses. Additionally, we find that the stretched exponent of the enthalpy relaxation function in the glass varies significantly (β = 0.44–0.76) upon changing the extent of sub-Tg annealing, compared to metallic and oxide glasses with similar Tgs, suggesting a high degree of structural heterogeneity. Pair distribution function results suggest no significant structural changes during the sub-Tg relaxation in ZIF-62 glass.	Jun 2018
B18-Core EXAFS	Melt-quenched glasses of metal–organic frameworks Thomas Bennett , Yuanzheng Yue , Peng Li , Ang Qiao , Haizheng Tao , Neville Greaves , Tom Richards , Giulio Lampronti , Simon Redfern , Frédéric Blanc , Omar K. Farha , Joseph T. Hupp , Anthony K. Cheetham , David Keen Journal Of The American Chemical Society DOI: 10.1021/jacs.5b13220 Diamond Proposal Number(s): [14249] Open Access Show Abstract ▼ Abstract: Crystalline solids dominate the field of metal-organic frameworks (MOFs), with access to the liquid and glass states of matter usually prohibited by relatively low temperatures of thermal decomposition. In this work, we give due consideration to framework chemistry and topology to expand the phenomenon of the melting of three-dimensional MOFs, linking crystal chemistry to framework melting temperature and kinetic fragility of the glass-forming liquids. Here we show that melting temperatures can be lowered by altering the chemistry of the crystalline MOF state, which provides a route to facilitate the melting of other MOFs. The glasses formed upon vitrification are chemically and structurally distinct from the three other existing categories of melt-quenched glasses (inorganic non-metallic, organic and metallic), and retain the basic metal-ligand connectivity of crystalline MOFs, which connects their mechanical properties to starting chemical composition. The transfer of functionality from crystal to glass points towards new routes to tunable, functional hybrid glasses.	Feb 2016
I15-Extreme Conditions I22-Small angle scattering & Diffraction	Hybrid glasses from strong and fragile metal-organic framework liquids Thomas Bennett , Jin-Chong Tan , Yuanzheng Yue , Emma Baxter , Caterina Ducati , Nicholas Terrill , Hamish Yeung , Zhongfu Zhou , Wenlin Chen , Sebastian Henke , Anthony K. Cheetham , Neville Greaves Nature Communications 6 DOI: 10.1038/ncomms9079 PMID: 26314784 Diamond Proposal Number(s): [9691, 5692] Open Access Show Abstract ▼ Abstract: Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density /`perfect/' glass, similar to those formed in ice, silicon and disaccharides. This order-order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order-disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of /`melt-casting/' MOF glasses.	Aug 2015
I11-High Resolution Powder Diffraction	Extreme flexibility in a zeolitic imidazolate framework: porous to dense phase transition in desolvated ZIF-4 Michael T. Wharmby , Sebastian Henke , Thomas Bennett , Sneha R. Bajpe , Inke Schwedler , Stephen P. Thompson , Fabia Gozzo , Petra Simoncic , Caroline Mellot-Draznieks , Haizheng Tao , Yuanzheng Yue , Anthony K. Cheetham Angewandte Chemie International Edition 54 (22), 6447 - 6451 DOI: 10.1002/anie.201410167 PMID: 25873105 Diamond Proposal Number(s): [9225] Show Abstract ▼ Abstract: Desolvated zeolitic imidazolate framework ZIF-4(Zn) undergoes a discontinuous porous to dense phase transition on cooling through 140 K, with a 23 % contraction in unit cell volume. The structure of the non-porous, low temperature phase was determined from synchrotron X-ray powder diffraction data and its density was found to be slightly less than that of the densest ZIF phase, ZIF-zni. The mechanism of the phase transition involves a cooperative rotation of imidazolate linkers resulting in isotropic framework contraction and pore space minimization. DFT calculations established the energy of the new structure relative to those of the room temperature phase and ZIF-zni, while DSC measurements indicate the entropic stabilization of the porous room temperature phase at temperatures above 140 K.	May 2015

Publications Database

Search Results

You searched for all publications:

Search Again...

Subject Areas (check all that apply) select all

Instruments used to collect data (check all that apply) select all

Collaborations involved (check all that apply) select all

Diamond Offline Facilities used

Relevant Technical Areas (check all that apply) select all

Menu for Anonymous User