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  • Currently displaying 21 - 40 of 829 publications
Author(s)
Publication title
Journal Name
Publication year
A foundation model for atomistic materials chemistry.
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, XR Advincula, M Asta, M Avaylon, WJ Baldwin, F Berger, N Bernstein, A Bhowmik, F Bigi, SM Blau, V Cărare, M Ceriotti, S Chong, JP Darby, S De, F Della Pia, VL Deringer, R Elijošius, Z El-Machachi, E Fako, F Falcioni, AC Ferrari, JLA Gardner, MJ Gawkowski, A Genreith-Schriever, J George, REA Goodall, J Grandel, CP Grey, P Grigorev, S Han, W Handley, HH Heenen, K Hermansson, CH Ho, S Hofmann, C Holm, J Jaafar, KS Jakob, H Jung, V Kapil, AD Kaplan, N Karimitari, JR Kermode, P Kourtis, N Kroupa, J Kullgren, MC Kuner, D Kuryla, G Liepuoniute, C Lin, JT Margraf, I-B Magdău, A Michaelides, JH Moore, AA Naik, SP Niblett, SW Norwood, N O'Neill, C Ortner, KA Persson, K Reuter, AS Rosen, LAM Rosset, LL Schaaf, C Schran, BX Shi, E Sivonxay, TK Stenczel, C Sutton, V Svahn, TD Swinburne, J Tilly, C van der Oord, S Vargas, E Varga-Umbrich, T Vegge, M Vondrák, Y Wang, WC Witt, T Wolf, F Zills, G Csányi
J Chem Phys
(2025)
163
(doi: 10.1063/5.0297006)
Design Principles for Air Tolerance in Pyridinium‐Based Flow Batteries
ME Carrington, E Jónsson, CP Grey
Adv Mater
(2025)
38
(doi: 10.1002/adma.202508875)
Study of Particle Size Distribution Effects in Battery Electrodes Using Monodisperse NMC Cathode Particles
HJ Tan, CP Grey, M De Volder
Journal of the Electrochemical Society
(2025)
172
(doi: 10.1149/1945-7111/ae0f56)
Accessing polyanionic redox in high voltage Li-rich thiophosphate-type materials
MS Islam, P Zarabadi-Poor, J Lim, X Wang, J Bocarsly, L Daniels, I Pateli, R Chen, J Claridge, C Grey, B Morgan, L Hardwick, M Rosseinsky, M Wright, A Lalanza, A Neale
(2025)
(doi: 10.21203/rs.3.rs-2605439/v1)
Overhauser dynamic nuclear polarization effect in alkali metals
BLD Rinkel, K Märker, M Juramy, S Paul, S Menkin, CP Grey
Physical Review B
(2025)
112
(doi: 10.1103/tpch-2ftn)
Collinear Jahn-Teller Ordering Induces Monoclinic DistorƟon in “Defect-free” LiNiO2
GS Phillips, JMA Steele, FN Sayed, L Karger, LAV Nagle-Cocco, AR Genreith-Schriever, GE Pérez, DA Keen, J Janek, T Brezesinski, JD Bocarsly, SE Dutton, CP Grey
J Am Chem Soc
(2025)
147
(doi: 10.1021/jacs.5c07435)
Hidden Subsurface Molecular Bubbles in Graphite Anodes for LIBs
D Wright, C Grey, S Menkin
Energy & Environmental Science
(2025)
18
(doi: 10.1039/d5ee01076d)
Chemical Degradation Routes of Electrolytes in Nickel-Rich Lithium-Ion Batteries: Where Does It All Begin?
KD Jones, RC McNulty, BMG Denison, AS Menon, E Hampson, I Temprano, LF Piper, W Lam, DA Walsh, G Newton, WM Dose, CP Grey, LR Johnson
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-013313mtgabs)
Phosphate Electrolyte Additives to Stabilise Nickel-Rich Cathodes in Lithium-Ion Batteries
JE Trevelyan, CP Grey, MFL De Volder
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-013407mtgabs)
EIS and DRT Guided Design of Aqueous Organic Flow Battery Electrodes
E Saunders, Q Dai, H Zhou, CP Grey, MFL De Volder
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-01452406mtgabs)
The Impact of Singlet Oxygen Release on Ethylene Carbonate-Based Lithium-Ion Electrolytes
BMG Denison, RC McNulty, KD Jones, E Hampson, I Temprano, DA Walsh, W Lam, GN Newton, WM Dose, CP Grey, LR Johnson
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-012117mtgabs)
Exploring Discharge Product Distribution in Li-O2 Batteries
L Brazel, MFL De Volder, CP Grey, I Temprano
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-01622938mtgabs)
Operando Optical Monitoring of the Dynamics and Inhomogeneity of the Electrical Double Layer on Single Particles
S Oswald, AJ Merryweather, C Schnedermann, A Rao, CP Grey
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-01178mtgabs)
Laser Ablation of Channels in Flow-through Electrodes for Flow Batteries
G Thompson, CP Grey, M De Volder
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-01452419mtgabs)
Towards High Voltage Cathodes for Rechargeable Mg Batteries: Evaluating Mg Mobility in Borate Polyanions
C Tacconis, S Dey, CP Grey, S Dutton
ECS Meeting Abstracts
(2025)
MA2025-01
(doi: 10.1149/ma2025-013167mtgabs)
Overhauser Dynamic Nuclear Polarization of Lithiated Graphite Anodes: Probing Bulk and Surface Structures
T Insinna, A-L Barra, CP Grey
Chemistry of Materials
(2025)
37
(doi: 10.1021/acs.chemmater.5c00845)
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms.
SP Niblett, P Kourtis, I-B Magdău, CP Grey, G Csányi
J Chem Theory Comput
(2025)
21
(doi: 10.1021/acs.jctc.5c00272)
Properties of NaPF6 Electrolytes and Effect of Electrolyte Concentration on Performance in Sodium-Ion Batteries
DMC Ould, S Oswald, HE Smith, CA O'Keefe, T Song, E Kendrick, DS Wright, CP Grey
Chem Commun (Camb)
(2025)
61
(doi: 10.1039/d5cc01447f)
Surface oxygen drives electrolyte degradation at Ni-rich battery cathodes
I Stephens, D Thornton, I Seymour, Z Shen, W Dose, A Aguadero, C Grey, MFL De Volder, M Ryan, B Davies
(2025)
(doi: 10.21203/rs.3.rs-6512009/v1)
Locating Impurity Phases in the Lithium-Ion Conductor Al-Doped Li7La3Zr2O12 through Dynamic Nuclear Polarization and Nuclear Magnetic Resonance Spectroscopy.
AH Berge, S Vema, CA O'Keefe, CP Grey
Chem Mater
(2025)
37
(doi: 10.1021/acs.chemmater.5c00807)
Yusuf Hamied Department of Chemistry
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