Joshua D. Elliott
Joshua D. Elliott
Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire, United
Verified email at - Homepage
Cited by
Cited by
Semantic interoperability and characterization of data provenance in computational molecular engineering
MT Horsch, C Niethammer, G Boccardo, P Carbone, S Chiacchiera, ...
Journal of Chemical & Engineering Data 65 (3), 1313-1329, 2019
The potential of imogolite nanotubes as (co-) photocatalysts: a linear-scaling density functional theory study
E Poli, JD Elliott, LE Ratcliff, L Andrinopoulos, J Dziedzic, NDM Hine, ...
Journal of Physics: Condensed Matter 28 (7), 074003, 2016
Structural resolution of inorganic nanotubes with complex stoichiometry
G Monet, MS Amara, S Rouzière, E Paineau, Z Chai, JD Elliott, E Poli, ...
Nature communications 9 (1), 2033, 2018
Optical detection of the susceptibility tensor in two-dimensional crystals
Z Xu, D Ferraro, A Zaltron, N Galvanetto, A Martucci, L Sun, P Yang, ...
Communications Physics 4 (1), 215, 2021
Surface susceptibility and conductivity of and monolayers: A first-principles and ellipsometry characterization
JD Elliott, Z Xu, P Umari, G Jayaswal, M Chen, X Zhang, A Martucci, ...
Physical Review B 101 (4), 045414, 2020
Robust vanadium pentoxide electrodes for sodium and calcium ion batteries: thermodynamic and diffusion mechanical insights
D Wang, H Liu, JD Elliott, LM Liu, WM Lau
Journal of Materials Chemistry A 4 (32), 12516-12525, 2016
Chemically selective alternatives to photoferroelectrics for polarization‐enhanced photocatalysis: the untapped potential of hybrid inorganic nanotubes
JD Elliott, E Poli, I Scivetti, LE Ratcliff, L Andrinopoulos, J Dziedzic, ...
Advanced Science 4 (2), 1600153, 2017
Koopmans Meets Bethe–Salpeter: Excitonic Optical Spectra without GW
JD Elliott, N Colonna, M Marsili, N Marzari, P Umari
Journal of Chemical Theory and Computation 15 (6), 3710-3720, 2019
A QM/MD coupling method to model the ion-induced polarization of graphene
JD Elliott, A Troisi, P Carbone
Journal of Chemical Theory and Computation 16 (8), 5253-5263, 2020
Large-scale density functional theory simulation of inorganic nanotubes: a case study on Imogolite nanotubes
E Poli, JD Elliott, NDM Hine, AA Mostofi, G Teobaldi
Materials Research Innovations 19 (sup4), S272-S282, 2015
Thermodynamic Stability and Native Point Defects of CuFeO2 Photocathodes in Dry and Electrochemical Environments
M Ferri, J Elliott, M Farnesi Camellone, S Fabris, S Piccinin
The Journal of Physical Chemistry C 123 (49), 29589-29598, 2019
The electrochemical double layer at the graphene/aqueous electrolyte interface: what we can learn from simulations, experiments, and theory
JD Elliott, AA Papaderakis, RAW Dryfe, P Carbone
Journal of Materials Chemistry C 10 (41), 15225-15262, 2022
CuFeO2–Water Interface under Illumination: Structural, Electronic, and Catalytic Implications for the Hydrogen Evolution Reaction
M Ferri, JD Elliott, MF Camellone, S Fabris, S Piccinin
ACS Catalysis 11 (4), 1897-1910, 2021
The role of cation-vacancies for the electronic and optical properties of aluminosilicate imogolite nanotubes: A non-local, linear-response TDDFT study
E Poli, JD Elliott, SK Chulkov, MB Watkins, G Teobaldi
Frontiers in Chemistry 7, 210, 2019
Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion model
A Ambrosetti, P Umari, PL Silvestrelli, J Elliott, A Tkatchenko
Nature communications 13 (1), 813, 2022
Wettability of graphite under 2D confinement
Z Wei, M Chiricotto, JD Elliott, F Martelli, P Carbone
Carbon 198, 132-141, 2022
Dynamically polarisable force-fields for surface simulations via multi-output classification Neural Networks
N Di Pasquale, JD Elliott, P Hadjidoukas, P Carbone
Journal of Chemical Theory and Computation 17 (7), 4477-4485, 2021
Constant chemical potential–quantum mechanical–molecular dynamics simulations of the graphene–electrolyte double layer
N Di Pasquale, AR Finney, JD Elliott, P Carbone, M Salvalaglio
The Journal of Chemical Physics 158 (13), 2023
Establishing best practices to model the electronic structure of from first principles
M Ferri, J Elliott, S Fabris, S Piccinin
Physical Review B 101 (15), 155201, 2020
Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model
A Landi, M Reisjalali, JD Elliott, M Matta, P Carbone, A Troisi
Journal of Materials Chemistry C, 2023
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