| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Grey, Cp
The Faraday Institution
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Topics
Publications (23/23 displayed)
- 2024The effect of interface heterogeneity on zinc metal anode cyclability.
- 20233D Nanocomposite Thin Film Cathodes for Micro-Batteries with Enhanced High-Rate Electrochemical Performance over Planar Films
- 2022Effect of Lithiation upon the Shear Strength of NMC811 Single Crystals
- 2022Importance of Superstructure in Stabilizing Oxygen Redox in P3-Na 0.67 Li 0.2 Mn 0.8 O 2
- 2022Electrolyte reactivity at the charged Ni-rich cathode interface and degradation in Li-ion batteriescitations
- 2022Electrolyte Reactivity at the Charged Ni-Rich Cathode Interface and Degradation in Li-Ion Batteries.
- 2022Forced Disorder in the Solid Solution Li3P-Li2S: A New Class of Fully Reduced Solid Electrolytes for Lithium Metal Anodes.
- 2021Endogenous 17 O Dynamic Nuclear Polarization of Gd-Doped CeO 2 from 100 to 370 K
- 2021Stabilized tilted-octahedra halide perovskites inhibit local formation of performance-limiting phasescitations
- 2020Revealing the Structure and Oxygen Transport at Interfaces in Complex Oxide Heterostructures via ¹⁷O NMR Spectroscopy
- 2020Investigating the effect of a fluoroethylene carbonate additive on lithium deposition and the solid electrolyte interphase in lithium metal batteries using: In situ NMR spectroscopy
- 2020Establishing Ultralow Activation Energies for Lithium Transport in Garnet Electrolytes.
- 2020Establishing ultra-low activation energies for lithium transport in garnet electrolytes.citations
- 2018The use of strontium ferrite in chemical looping systemscitations
- 2018Interface Instability in LiFePO4–Li3+xP1–xSixO4 All-Solid-State Batteries
- 2018Crystal Structures, Local Atomic Environments, and Ion Diffusion Mechanisms of Scandium-Substituted Sodium Superionic Conductor (NASICON) Solid Electrolytescitations
- 2017Metal-Organic Nanosheets Formed via Defect-Mediated Transformation of a Hafnium Metal-Organic Frameworkcitations
- 2017How Strong Is the Hydrogen Bond in Hybrid Perovskites?citations
- 2017Structural Simplicity as a Restraint on the Structure of Amorphous Silicon
- 2017Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory and Solid-State NMR Approach
- 2017Mg x Mn 2-x B 2 O 5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries
- 2014Three-dimensional characterization of electrodeposited lithium microstructures using synchrotron X-ray phase contrast imagingcitations
- 2013Lithiation of silicon via lithium Zintl-defect complexes from first principles
Places of action
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article
Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory and Solid-State NMR Approach
Abstract
The alloying mechanism of high-capacity tin anodes for sodium-ion batteries is investigated using a combined theoretical and experimental approach. Ab initio random structure searching (AIRSS) and high-throughput screening using a species-swap method provide insights into a range of possible sodium-tin structures. These structures are linked to experiments using both average and local structure probes in the form of operando pair distribution function analysis, X-ray diffraction, and 23Na solid-state nuclear magnetic resonance (ssNMR), and ex situ 119Sn ssNMR. Through this approach, we propose structures for the previously unidentified crystalline and amorphous intermediates. The first electrochemical process of sodium insertion into tin results in the conversion of crystalline tin into a layered structure consisting of mixed Na/Sn occupancy sites intercalated between planar hexagonal layers of Sn atoms (approximate stoichiometry NaSn3). Following this, NaSn2, which is predicted to be thermodynamically stable by AIRSS, forms; this contains hexagonal layers closely related to NaSn3, but has no tin atoms between the layers. NaSn2 is broken down into an amorphous phase of approximate composition Na1.2Sn. Reverse Monte Carlo refinements of an ab initio molecular dynamics model of this phase show that the predominant tin connectivity is chains. Further reaction with sodium results in the formation of structures containing Sn-Sn dumbbells, which interconvert through a solid-solution mechanism. These structures are based upon Na5-xSn2, with increasing occupancy of one of its sodium sites commensurate with the amount of sodium added. ssNMR results indicate that the final product, Na15Sn4, can store additional sodium atoms as an off-stoichiometry compound (Na15+xSn4) in a manner similar to Li15Si4. ; This work was supported by STFCBatteries.org through the STFC Futures Early Career Award (J.M.S.). J.M.S. acknowledges funding from the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle ...