Search Results - "David Wragg"

Replica exchange molecular dynamics for Li-intercalation in graphite: a new solution for an old problem by Park, Heesoo, Wragg, David S, Koposov, Alexey Y

“…Li intercalation and graphite stacking have been extensively studied because of the importance of graphite in commercial Li-ion batteries. Despite this…”
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Chemical Structures of Specific Sodium Ion Battery Components Determined by Operando Pair Distribution Function and X‐ray Diffraction Computed Tomography by Sottmann, Jonas, Di Michiel, Marco, Fjellvåg, Helmer, Malavasi, Lorenzo, Margadonna, Serena, Vajeeston, Ponniah, Vaughan, Gavin B. M., Wragg, David S.

“…To improve lithium and sodium ion battery technology, it is imperative to understand how the properties of the different components are controlled by their…”
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A Straightforward Descriptor for the Deactivation of Zeolite Catalyst H‑ZSM‑5 by Rojo-Gama, Daniel, Nielsen, Malte, Wragg, David S, Dyballa, Michael, Holzinger, Julian, Falsig, Hanne, Lundegaard, Lars Fahl, Beato, Pablo, Brogaard, Rasmus Yding, Lillerud, Karl Petter, Olsbye, Unni, Svelle, Stian

“…ZSM-5 is a widely used zeolite catalyst and is employed industrially for the methanol to gasoline (MTG) process. Even so, deactivation of ZSM-5 by coke…”
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Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal–Organic Frameworks by Øien, Sigurd, Wragg, David, Reinsch, Helge, Svelle, Stian, Bordiga, Silvia, Lamberti, Carlo, Lillerud, Karl Petter

“…We report the structure of the Zr metal–organic frameworks (MOFs) UiO-66 and UiO-67 to very fine detail using synchrotron single-crystal X-ray diffraction and…”
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Cu-catalyzed N‑3-Arylation of Hydantoins Using Diaryliodonium Salts by Neerbye Berntsen, Linn, Nova, Ainara, Wragg, David S, Sandtorv, Alexander H

“…A general Cu-catalyzed, regioselective method for the N-3-arylation of hydantoins is described. The protocol utilizes aryl­(trimethoxyphenyl)­iodonium tosylate…”
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How Crystallite Size Controls the Reaction Path in Nonaqueous Metal Ion Batteries: The Example of Sodium Bismuth Alloying by Sottmann, Jonas, Herrmann, Matthias, Vajeeston, Ponniah, Hu, Yang, Ruud, Amund, Drathen, Christina, Emerich, Hermann, Fjellvåg, Helmer, Wragg, David S

“…Crystallite size effects can influence the performance of battery materials by making the structural chemistry deviate from what is predicted by the…”
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Insights into Crystal Structure and Diffusion of Biphasic Na2Zn2TeO6 by Li, Xinyu, Bianchini, Federico, Wind, Julia, Pettersen, Christine, Wragg, David S, Vajeeston, Ponniah, Fjellvåg, Helmer

“…The layered oxide Na2Zn2TeO6 is a fast Na+ ion conductor and a suitable candidate for application as a solid-state electrolyte. We present a detailed study on…”
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Structural determination of a highly stable metal-organic framework with possible application to interim radioactive waste scavenging: Hf-UiO-66 by Jakobsen, Søren, Gianolio, Diego, Wragg, David S., Nilsen, Merete Hellner, Emerich, Hermann, Bordiga, Silvia, Lamberti, Carlo, Olsbye, Unni, Tilset, Mats, Lillerud, Karl Petter

“…High-resolution synchrotron radiation x-ray powder diffraction (HR-XRPD) combined with Hf L3-edge extended x-ray absorption fine structure allowed us to…”
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Unraveling the (De)sodiation Mechanisms of BiFeO3 at a High Rate with Operando XRD by Brennhagen, Anders, Skautvedt, Casper, Cavallo, Carmen, Wragg, David S., Koposov, Alexey Y., Sjåstad, Anja O., Fjellvåg, Helmer

“…Development of new anode materials for Na-ion batteries strongly depends on a detailed understanding of their cycling mechanism. Due to instrumental…”
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(De)sodiation Mechanism of Bi2MoO6 in Na-Ion Batteries Probed by Quasi-Simultaneous Operando PDF and XAS by Brennhagen, Anders, Skurtveit, Amalie, Wragg, David S., Cavallo, Carmen, Sjåstad, Anja O., Koposov, Alexey Y., Fjellvåg, Helmer

“…Operando characterization can reveal degradation processes in battery materials and are essential for the development of battery chemistries. This study…”
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Genomic signatures of adaptive introgression and environmental adaptation in the Sheko cattle of southwest Ethiopia by Bahbahani, Hussain, Afana, Arwa, Wragg, David

“…Although classified as an African taurine breed, the genomes of Sheko cattle are an admixture of Asian zebu and African taurine ancestries. They populate the…”
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Bismuth Vanadate and Molybdate: Stable Alloying Anodes for Sodium-Ion Batteries by Sottmann, Jonas, Herrmann, Matthias, Vajeeston, Ponniah, Ruud, Amund, Drathen, Christina, Emerich, Hermann, Wragg, David S, Fjellvåg, Helmer

“…Sodium-ion batteries may become an inexpensive alternative to lithium-ion batteries for large-scale stationary storage of energy generated by intermittent…”
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(De)sodiation Mechanism of Bi 2 MoO 6 in Na-Ion Batteries Probed by Quasi-Simultaneous Operando PDF and XAS by Brennhagen, Anders, Skurtveit, Amalie, Wragg, David S, Cavallo, Carmen, Sjåstad, Anja O, Koposov, Alexey Y, Fjellvåg, Helmer

“…Operando characterization can reveal degradation processes in battery materials and are essential for the development of battery chemistries. This study…”
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In operando Synchrotron XRD/XAS Investigation of Sodium Insertion into the Prussian Blue Analogue Cathode Material Na1.32Mn[Fe(CN)6]0.83·z H2O by Sottmann, Jonas, Bernal, Fabian L.M., Yusenko, Kirill V., Herrmann, Matthias, Emerich, Hermann, Wragg, David S., Margadonna, Serena

“…[Display omitted] Prussian Blue Analogues (PBAs) with general formula NaxMA[MB(CN)6]y·z H2O (MA, MB=transition metal) are promising low cost, high rate and…”
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Tracking Lithiation of Si-Based Anodes in Real Time by Total Scattering Computed Tomography by Wragg, David S., Skautvedt, Casper, Brennhagen, Anders, Geiß, Carina, Checchia, Stefano, Koposov, Alexey Y.

“…The existing set of characterization tools does not permit a full description of the three-dimensional (3D) structure and operating mechanisms of amorphous,…”
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The Reactivity of Multidentate Schiff Base Ligands Derived from Bi‐ and Terphenyl Polyamines towards M(II) (M=Ni, Cu, Zn, Cd) and M(III) (M=Co, Y, Lu) by Hylland, Knut Tormodssønn, Gerz, Isabelle, Wragg, David S., Øien‐Ødegaard, Sigurd, Tilset, Mats

“…Multidentate Schiff base ligands derived from a selection of biphenyl‐ and terphenyl polyamines were synthesized, and their reactivity towards divalent (Ni,…”
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Unraveling the (De)sodiation Mechanisms of BiFeO 3 at a High Rate with Operando XRD by Brennhagen, Anders, Skautvedt, Casper, Cavallo, Carmen, Wragg, David S, Koposov, Alexey Y, Sjåstad, Anja O, Fjellvåg, Helmer

“…Development of new anode materials for Na-ion batteries strongly depends on a detailed understanding of their cycling mechanism. Due to instrumental…”
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Structural Elucidation, Aggregation, and Dynamic Behaviour of N,N,N,N‐Copper(I) Schiff Base Complexes in Solid and in Solution: A Combined NMR, X‐ray Spectroscopic and Crystallographic Investigation by Gerz, Isabelle, Jannuzzi, Sergio Augusto Venturinelli, Hylland, Knut T., Negri, Chiara, Wragg, David S., Øien‐Ødegaard, Sigurd, Tilset, Mats, Olsbye, Unni, DeBeer, Serena, Amedjkouh, Mohamed

“…A series of Cu(I) complexes of bidentate or tetradentate Schiff base ligands bearing either 1‐H‐imidazole or pyridine moieties were synthesized. The complexes…”
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Deactivation of Zeolite Catalyst H‑ZSM‑5 during Conversion of Methanol to Gasoline: Operando Time- and Space-Resolved X‑ray Diffraction by Rojo-Gama, Daniel, Mentel, Lukasz, Kalantzopoulos, Georgios N, Pappas, Dimitrios K, Dovgaliuk, Iurii, Olsbye, Unni, Lillerud, Karl Petter, Beato, Pablo, Lundegaard, Lars F, Wragg, David S, Svelle, Stian

“…The deactivation of zeolite catalyst H-ZSM-5 by coking during the conversion of methanol to hydrocarbons was monitored by high-energy space- and time-resolved…”
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In Situ Flow MAS NMR Spectroscopy and Synchrotron PDF Analyses of the Local Response of the Brønsted Acidic Site in SAPO‐34 during Hydration at Elevated Temperatures by Kalantzopoulos, Georgios N., Lundvall, Fredrik, Checchia, Stefano, Lind, Anna, Wragg, David S., Fjellvåg, Helmer, Arstad, Bjørnar

“…In situ flow magic‐angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy and synchrotron‐based pair distribution function (PDF) analyses were…”
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