Defect Engineering in Two-Dimensional Layered PdTe2 for Enhanced Hydrogen Evolution Reaction

Yunpeng Zuo , Nikolas Antonatos , Lukáš Děkanovský , Jan Luxa
ACS Catalysis 13 ( 4) 2601 -2609

2023
Wettability of graphite under 2D confinement

Zixuan Wei , Mara Chiricotto , Joshua D Elliott , Fausto Martelli
Carbon 198 132 -141

3
2022
2023
First principle surface conductivity and susceptibility of monolayer TMDs

Margherita Marsili , Joshua D Elliott , Olivia Pulci
High Performance Computing on CRESCO Infrastructure: research activities and results 2017 94

2018
Materials for optical, magnetic and electronic devices

Joshua D Elliott , Athanasios A Papaderakis , Robert AW Dryfe , Paola Carbone
J. Mater. Chem 100 ( 10) 15339

2022
Real Space--Real Time Evolution of Excitonic States Based on the Bethe-Salpeter Equation Method

Joshua D Elliott , Edoardo Mosconi , Filippo De Angelis , Alberto Ambrosetti
The Journal of Physical Chemistry Letters 12 ( 30) 7261 -7269

2
2021
Relation between Double Layer Structure, Capacitance, and Surface Tension in Electrowetting of Graphene and Aqueous Electrolytes

Zixuan Wei , Joshua D Elliott , Athanasios A Papaderakis , Robert AW Dryfe
Journal of the American Chemical Society 146 ( 1) 760 -772

3
2023
Constant chemical potential–quantum mechanical–molecular dynamics simulations of the graphene–electrolyte double layer

Nicodemo Di Pasquale , Aaron R Finney , Joshua D Elliott , Paola Carbone
The Journal of Chemical Physics 158 ( 13)

9
2023
Direct monitoring of the potassium charge carrier in Prussian blue cathodes using potassium K-edge X-ray absorption spectroscopy

Alexander J Mayer , Owain T Beynon , Andrew J Logsdail , KG Upul Wijayantha
Journal of Materials Chemistry A 11 ( 37) 19900 -19913

2
2023
Semantic interoperability and characterization of data provenance in computational molecular engineering

Martin Thomas Horsch , Christoph Niethammer , Gianluca Boccardo , Paola Carbone
Journal of Chemical & Engineering Data 65 ( 3) 1313 -1329

48
2019
Dealloying layered PdBi 2 nanoflakes to palladium hydride leads to enhanced electrocatalytic N 2 reduction

Nikolas Antonatos , Joshua D Elliott , Vlastimil Mazánek , Petr Marvan
Journal of Materials Chemistry A 10 ( 22) 11904 -11916

7
2022
Dynamically polarisable force-fields for surface simulations via multi-output classification Neural Networks

Nicodemo Di Pasquale , Joshua D Elliott , Panagiotis Hadjidoukas , Paola Carbone
J Chem Theory Comput . 17 ( 7) 4477 -4485

11
2021
Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model

Alessandro Landi , Maryam Reisjalali , Joshua D Elliott , Micaela Matta
Journal of Materials Chemistry C 11 ( 24) 8062 -8073

10
2023
Intermediates during the Nucleation of Platinum Nanoparticles by a Reaction with Ethylene Glycol: Operando X-ray Absorption Spectroscopy Studies with a Microfluidic Cell

Sylvia Britto , Christopher MA Parlett , Stuart Bartlett , Joshua D Elliott
The Journal of Physical Chemistry C 127 ( 18) 8631 -8639

2023
Supporting Information for: Simulation of polymeric mixed ionic and electronic conductors with

Alessandro Landi , Maryam Reisjalali , Joshua D Elliott , Micaela Matta

Dealloying layered PdBi₂ nanoflakes to palladium hydride leads to enhanced electrocatalytic N₂ reduction

Nikolas Antonatos , Joshua D Elliott , Vlastimil Mazánek , Petr Marvan

2022
Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW.

Joshua D Elliott , Nicola Colonna , Margherita Marsili , Nicola Marzari
Journal of Chemical Theory and Computation 15 ( 6) 3710 -3720

7
2019
Web-CONEXS: an inroad to theoretical X-ray absorption spectroscopy

Joshua D Elliott , Victor Rogalev , Nigel Wilson , Mihai Duta
Synchrotron Radiation 31 ( 5)

2024
Ab-initio investigation of a novel photocathode: bulk and surface properties of CuFeO 2

Simone Piccinin , Stefano Fabris , Joshua Elliott , Matteo Farnesi Camellone
Bulletin of the American Physical Society

2020