David Wragg

Dr. David Wragg


Research Focus & Metrics

Academic Career Length

28Years (1999-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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8 July 2020 in Energy & Environmental Science
Verified
Journal Article
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DFDonal Finegan
Donal Finegan
AQAlexander Quinn
Alexander Quinn
DWDavid Wragg
David Wragg
Andrew M. ColclasureAndrew M. Colclasure
Andrew M. Colclasure
XLXuekun Lu
Xuekun Lu
KSKandler Smith
Kandler Smith
The principal inhibitor of fast charging lithium ion cells is the graphite negative electrode, where favorable conditions for lithium plating occur at high charge rates, causing accelerated degradation and safety concerns. The local response of graphite, both at the electrode and particle level, when exposed to fast charging conditions of around 6C is not well understood. Consequently, the conditions that lead to the onset of lithium plating, as well as the local dynamics of lithium plating and stripping, have also remained elusive. Here, we use high-speed (100 Hz) pencil-beam X-ray diffraction to repeatedly raster along the depth of a 101 μm thick graphite electrode in 3 μm steps during fast (up to 6C) charge and discharge conditions. Consecutive depth profiles from separator to current collector were each captured in 0.5 seconds, giving an unprecedented spatial and temporal description of the state of the electrode and graphite's staging dynamics during high rate conditions. The electrode is preferentially activated near the separator, and the non-uniformity increases with rate and is influenced by free-energy barriers between graphite's lithiation stages. The onset of lithium plating and stripping was quantified, occurring only within the first 15 μm from the separator. The presence of lithium plating changed the behavior of the underlying graphite, such as causing co-existence of LiC6 and graphite in the fully discharged state. Finally, the staging behavior of graphite at different rates was quantified, revealing a high dependency on rate and drastic hysteresis between lithiation and delithiation.

27 June 2017 in Chemical Society Reviews
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Journal Article
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SØSigurd Øien-Ødegaard
Sigurd Øien-Ødegaard
GSG. C. Shearer
G. C. Shearer
DWDavid Wragg
David Wragg
KLK. P. Lillerud
K. P. Lillerud
Single crystal X-ray diffraction (SC-XRD) is the principal method for determining the crystal structures of metal–organic frameworks (MOFs). This tutorial deals with the handling of MOF crystals and analysis of crystallographic data obtained from single-crystal X-ray diffraction, focusing on two features that are particularly important in MOF crystallography and have a large impact on the quality and reliability of the final crystal structures: (1) the treatment of pore-occupying entities (both in the physical crystals and in the crystallographic model) and (2) crystallographic twinning. Proper handling of samples and data will reduce the need for using solvent masking software (e.g. SQUEEZE) to obtain acceptable crystal structures. If SC-XRD is to retain its position as the definitive method of MOF structure determination, these issues must be addressed when a new MOF structure is determined and reported. The issues addressed in this review is also valid for other porous, crystalline solids such as porous organic cages, metal–organic polyhedra, covalent organic frameworks and zeotype materials.

9 August 2017 in Angewandte Chemie International Edition
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Journal Article
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JSJonas Sottmann
Jonas Sottmann
MMMarco Di Michiel
Marco Di Michiel
HFHelmer Fjellvåg
Helmer Fjellvåg
LMLorenzo Malavasi
Lorenzo Malavasi
SMSerena Margadonna
Serena Margadonna
DWDavid Wragg
David Wragg

2 July 2012 in Angewandte Chemie International Edition
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Journal Article
Closed access
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DWDavid Wragg
David Wragg
MOMatthew G. O'Brien
Matthew G. O'Brien
FBFrancesca L. Bleken
Francesca L. Bleken
MMMarco Di Michiel
Marco Di Michiel
UOUnni Olsbye
Unni Olsbye
HFHelmer Fjellvåg
Helmer Fjellvåg

27 October 2016 in Journal of Applied Crystallography
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Journal Article
Closed access
PDF file
JSJonas Sottmann
Jonas Sottmann
RHRoberto Homs-Regojo
Roberto Homs-Regojo
DWDavid Wragg
David Wragg
HFHelmer Fjellvåg
Helmer Fjellvåg
SMSerena Margadonna
Serena Margadonna
HEHermann Emerich
Hermann Emerich

31 October 2010 in Microporous and Mesoporous Materials
Verified
Journal Article
Closed access
DWDavid Wragg
David Wragg
RJRune E. Johnsen
Rune E. Johnsen
PNPoul Norby
Poul Norby
HFHelmer Fjellvåg
Helmer Fjellvåg