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36 items found (0 items not approved), displaying 1 to 10.[First/Prev] 1, 2, 3, 4 [Next/Last]

Instruments / Technical Area	Publication Details	Published
B18-Core EXAFS	Enhancing hydrogen evolution electrocatalytic performance in neutral media via nitrogen and iron phosphide interactions Siyu Zhao , Ruikuan Xie , Liqun Kang , Manni Yang , Xingyu He , Wenyao Li , Ryan Wang , Dan J. L. Brett , Guanjie He , Guoliang Chai , Ivan P. Parkin Small Science 355 DOI: 10.1002/smsc.202100032 Diamond Proposal Number(s): [19850] Open Access Show Abstract ▼ Abstract: It remains a challenge to develop efficient electrocatalysts in neutral media for hydrogen evolution reaction (HER) due to the sluggish kinetics and switch of the rate determining step. Although metal phosphides are widely used HER catalysts, their structural stability is an issue due to oxidization, and the HER performance in neutral media requires improvement. Herein, a new material, i.e., grapevine‐shaped N‐doped iron phosphide on carbon nanotubes, as an efficient HER catalyst in neutral media is developed. The optimized catalyst shows an overpotential of 256 mV at a large current density of 65 mA cm−2, which is even 10 mV lower than that of the commercial 20% Pt/C catalyst. The excellent performance of the catalyst is further studied by combined computational and experimental techniques, which proves that the interaction between nitrogen and iron phosphides can provide more efficient active structures and stabilize the metal phosphide electrocatalysts for HER.	May 2021
B18-Core EXAFS	Contrasting the EXAFS obtained under air and H2 environments to reveal details of the surface structure of Pt–Sn nanoparticles Haoliang Huang , Abu Bakr Ahmed Amine Nassr , Veronica Celorrio , Diego Gianolio , Christopher Hardacre , Dan J. L. Brett , Andrea E. Russell Physical Chemistry Chemical Physics 30 DOI: 10.1039/D1CP00979F Diamond Proposal Number(s): [10306, 19850] Open Access Show Abstract ▼ Abstract: Understanding the surface structure of bimetallic nanoparticles is crucial for heterogeneous catalysis. Although surface contraction has been established in monometallic systems, less is known for bimetallic systems, especially of nanoparticles. In this work, the bond length contraction on the surface of bimetallic nanoparticles is revealed by XAS in H2 at room temperature on dealloyed Pt–Sn nanoparticles, where most Sn atoms were oxidized and segregated to the surface when measured in air. The average Sn–Pt bond length is found to be ∼0.09 Å shorter than observed in the bulk. To ascertain the effect of the Sn location on the decrease of the average bond length, Pt–Sn samples with lower surface-to-bulk Sn ratios than the dealloyed Pt–Sn were studied. The structural information specifically from the surface was extracted from the averaged XAS results using an improved fitting model combining the data measured in H2 and in air. Two samples prepared so as to ensure the absence of Sn in the bulk were also studied in the same fashion. The bond length of surface Sn–Pt and the corresponding coordination number obtained in this study show a nearly linear correlation, the origin of which is discussed and attributed to the poor overlap between the Sn 5p orbitals and the available orbitals of the Pt surface atoms.	May 2021
I13-2-Diamond Manchester Imaging	Tracking lithium penetration in solid electrolytes in 3D by in-situ synchrotron X-ray computed tomography Shuai Hao , Sohrab R. Daemi , Thomas M. M. Heenan , Wenjia Du , Chun Tan , Malte Storm , Christoph Rau , Dan J. I. Brett , Paul R. Shearing Nano Energy 82 DOI: 10.1016/j.nanoen.2021.105744 Diamond Proposal Number(s): [22198] Show Abstract ▼ Abstract: Solid state batteries have attracted extensive attention, but the lithium penetration through the solid electrolyte remains a critical barrier to commercialisation and is not yet fully understood. In this study, the 3D morphological evolution of cracks with deposited lithium were tracked as they penetrated through the solid electrolyte during repetitive plating. This is achieved by utilising in-situ synchrotron X-ray computed tomography with high spatial and temporal resolutions. Thin-sheet cracks were observed to penetrate the solid electrolyte without immediate short-circuiting of the cell. Changes in their width and volume were quantified. By calculating the volume of deposited lithium, it was found that the lithium was only partially filled in cracks, and its filling ratio quickly dropped from 94.95% after the 1st plating to ca. 20% after the 4th plating. The filling process was revealed through tracking the line profile of grayscale along cracks. It was found that lithium grew much more slowly than cracks, so that the cracks near the cathode side were largely hollow and the cell could continue to operate. The deposited lithium after short circuit was segmented and its distribution was visualised. DVC analysis was applied to map local high stress and strain, which aggregated along cracks and significantly increased at areas where new cracks formed.	Apr 2021
E01-JEM ARM 200CF	Evaluation and realization of safer Mg-S battery: the decisive role of the electrolyte Lin Sheng , Zhangxiang Hao , Junrun Feng , Wenjia Du , Manxi Gong , Liqun Kang , Paul R. Shearing , Dan J. I. Brett , Yunhui Huang , Feng Ryan Wang Nano Energy 334 DOI: 10.1016/j.nanoen.2021.105832 Diamond Proposal Number(s): [20643] Show Abstract ▼ Abstract: The magnesium–sulfur (Mg-S) battery may be a safer alternative for the lithium-sulfur battery because Mg plating usually proceeds without dendrite formation. Here, we correlate the thermal runaway of Mg-S battery with the associated change of electrolyte vapour pressure via battery testing calorimetery. Over-pressure builds up along with the programmed heating of the cell, and as a result, the thermal runaway is triggered at 20 to 45 K over the electrolyte boiling point, corresponding to 70 to 150 kPa pressure difference between the cell and the environment. The distinct performance-safety-cost behaviours of three ether type of electrolytes stems from the different CH2CH2O chain lengths. Such molecular insight will serve as a fundamental guideline in choosing and designing the desired electrolyte that simultaneously achieves a high explosion limit and good electrochemical performance.	Jan 2021
I13-2-Diamond Manchester Imaging	Towards a mechanistic understanding of particle shrinkage during biomass pyrolysis via synchrotron X-ray microtomography and in-situ radiography Meredith Rose Barr , Rhodri Jervis , Yeshui Zhang , Andrew J. Bodey , Christoph Rau , Paul R. Shearing , Dan J. L. Brett , Maria-Magdalena Titirici , Roberto Volpe Scientific Reports 11 DOI: 10.1038/s41598-020-80228-x Diamond Proposal Number(s): [21587] Open Access Show Abstract ▼ Abstract: Accurate modelling of particle shrinkage during biomass pyrolysis is key to the production of biochars with specific morphologies. Such biochars represent sustainable solutions to a variety of adsorption-dependent environmental remediation challenges. Modelling of particle shrinkage during biomass pyrolysis has heretofore been based solely on theory and ex-situ experimental data. Here we present the first in-situ phase-contrast X-ray imaging study of biomass pyrolysis. A novel reactor was developed to enable operando synchrotron radiography of fixed beds of pyrolysing biomass. Almond shell particles experienced more bulk shrinkage and less change in porosity than did walnut shell particles during pyrolysis, despite their similar composition. Alkaline pretreatment was found to reduce this difference in feedstock behaviour. Ex-situ synchrotron X-ray microtomography was performed to study the effects of pyrolysis on pore morphology. Pyrolysis led to a redistribution of pores away from particle surfaces, meaning newly formed surface area may be less accessible to adsorbates.	Jan 2021
E01-JEM ARM 200CF E02-JEM ARM 300CF	Self-activated cathode substrates in rechargeable zinc–air batteries Jian Guo , Liqun Kang , Xuekun Lu , Siyu Zhao , Jianwei Li , Paul R. Shearing , Ryan Wang , Dan J. L. Brett , Guanjie He , Guoliang Chai , Ivan P. Parkin Energy Storage Materials 35, 530 - 537 DOI: 10.1016/j.ensm.2020.11.036 Diamond Proposal Number(s): [22572, 20847] Show Abstract ▼ Abstract: Developing cost-effective and durable air-cathodes is crucial for improving metal-air batteries. Most reports of cathode formulation involve preparing bi-functional electrocatalysts from wet chemistry or solid-state synthesis, followed by pasting onto a substrate. In this work, the cathodes generated from electrochemical activation of normal carbon paper substrates were directly used in Zn-air batteries. The self-activated carbon paper substrate without any additional electrocatalysts exhibits an impressive cycling stability (more than 165 hours for 1,000 cycles) and a small discharge-charge voltage gap. After the activation, the maximum power density and electrochemical surface area were increased by over 40 and 1,920 times respectively. It is discovered that substrates after activation can be directly used as a cathode. The new method is scalable, inexpensive and produces near best in class performance. The mechanism behind this enhancement is due to the creation of oxygen functional groups within the cathode, which overcame slow kinetics, enhanced wettability and enabled optimum three-phase boundaries.	Dec 2020
I13-2-Diamond Manchester Imaging	4D Bragg edge tomography of directional ice templated graphite electrodes Ralf F. Ziesche , Anton S. Tremsin , Chun Huang , Chun Tan , Patrick S. Grant , Malte Storm , Dan J. L. Brett , Paul Shearing , Winfred Kockelmann Journal Of Imaging 6 DOI: 10.3390/jimaging6120136 Diamond Proposal Number(s): [22976] Open Access Show Abstract ▼ Abstract: Bragg edge tomography was carried out on novel, ultra-thick, directional ice templated graphite electrodes for Li-ion battery cells to visualise the distribution of graphite and stable lithiation phases, namely LiC12 and LiC6. The four-dimensional Bragg edge, wavelength-resolved neutron tomography technique allowed the investigation of the crystallographic lithiation states and comparison with the electrode state of charge. The tomographic imaging technique provided insight into the crystallographic changes during de-/lithiation over the electrode thickness by mapping the attenuation curves and Bragg edge parameters with a spatial resolution of approximately 300 µm. This feasibility study was performed on the IMAT beamline at the ISIS pulsed neutron spallation source, UK, and was the first time the 4D Bragg edge tomography method was applied to Li-ion battery electrodes. The utility of the technique was further enhanced by correlation with corresponding X-ray tomography data obtained at the Diamond Light Source, UK.	Dec 2020
I13-1-Coherence	Operando Bragg coherent diffraction imaging of LiNi0.8Mn0.1Co0.1O2 primary particles within commercially printed NMC811 electrode sheets Ana Katrina C. Estandarte , Jiecheng Diao , Alice Llewellyn , Anmol Jnawali , Thomas M. M. Heenan , Sohrab R. Daemi , Josh J. Bailey , Silvia Cipiccia , Darren Batey , Xiaowen Shi , Christoph Rau , Dan J. L. Brett , Rhodri Jervis , Ian K. Robinson , Paul Shearing Acs Nano DOI: 10.1021/acsnano.0c08575 Diamond Proposal Number(s): [25852, 25440, 24129, 22373, 22309, 21652] Show Abstract ▼ Abstract: Due to complex degradation mechanisms, disparities between the theoretical and practical capacities of lithium-ion battery cathode materials persist. Specifically, Ni-rich chemistries such as LiNi0.8Mn0.1Co0.1O2 (or NMC811) are one of the most promising choices for automotive applications; however, they continue to suffer severe degradation during operation that is poorly understood, thus challenging to mitigate. Here we use operando Bragg coherent diffraction imaging for 4D analysis of these mechanisms by inspecting the individual crystals within primary particles at various states of charge (SoC). Although some crystals were relatively homogeneous, we consistently observed non-uniform distributions of inter- and intracrystal strain at all measured SoC. Pristine structures may already possess heterogeneities capable of triggering crystal splitting and subsequently particle cracking. During low-voltage charging (2.7–3.5 V), crystal splitting may still occur even during minimal bulk deintercalation activity; and during discharging, rotational effects within parallel domains appear to be the precursor for the nucleation of screw dislocations at the crystal core. Ultimately, this discovery of the central role of crystal grain splitting in the charge/discharge dynamics may have ramifications across length scales that affect macroscopic performance loss during real-world battery operation.	Dec 2020
	4D neutron and X-ray tomography studies of high energy density primary batteries: part II. Multi-modal microscopy of LiSOCl2 cells Ralf F. Ziesche , James B. Robinson , Henning Markötter , Robert Bradbury , Alessandro Tengattini , Nicolas Lenoir , Lukas Helfen , Winfred Kockelmann , Nikolay Kardjilov , Ingo Manke , Dan J. L. Brett , Paul Shearing Journal Of The Electrochemical Society 167 DOI: 10.1149/1945-7111/abbfd9 Open Access Show Abstract ▼ Abstract: The ability to track electrode degradation, both spatially and temporally, is fundamental to understand performance loss during operation of lithium batteries. X-ray computed tomography can be used to follow structural and morphological changes in electrodes; however, the direct detection of electrochemical processes related to metallic lithium is difficult due to the low sensitivity to the element. In this work, 4-dimensional neutron computed tomography, which shows high contrast for lithium, is used to directly quantify the lithium diffusion process in spirally wound Li/SOCl2 primary cells. The neutron dataset enables the quantification of the lithium transport from the anode and the accumulation inside the SOCl2 cathode to be locally resolved. Complementarity between the collected neutron and X-ray computed tomographies is shown and by applying both methods in concert we have observed lithium diffusion blocking by the LiCl protection layer and identified all cell components which are difficult to distinguish using one of the methods alone.	Nov 2020
I11-High Resolution Powder Diffraction	Using in-situ laboratory and synchrotron-based X-ray diffraction for lithium-ion batteries characterization: a review on recent developments Alice Llewellyn , Alessia Matruglio , Dan J. L. Brett , Rhodri Jervis , Paul R. Shearing Condensed Matter 5 DOI: 10.3390/condmat5040075 Open Access Show Abstract ▼ Abstract: Renewable technologies, and in particular the electric vehicle revolution, have generated tremendous pressure for the improvement of lithium ion battery performance. To meet the increasingly high market demand, challenges include improving the energy density, extending cycle life and enhancing safety. In order to address these issues, a deep understanding of both the physical and chemical changes of battery materials under working conditions is crucial for linking degradation processes to their origins in material properties and their electrochemical signatures. In situ and operando synchrotron-based X-ray techniques provide powerful tools for battery materials research, allowing a deep understanding of structural evolution, redox processes and transport properties during cycling. In this review, in situ synchrotron-based X-ray diffraction methods are discussed in detail with an emphasis on recent advancements in improving the spatial and temporal resolution. The experimental approaches reviewed here include cell designs and materials, as well as beamline experimental setup details. Finally, future challenges and opportunities for battery technologies are discussed.	Nov 2020

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