46 citations · 52 across the 6 of their papers we have counts for
6 papers
Atomistic Structure Generation and Neural-Network Screening of Hard Carbons to Identify High-Capacity Sodium Storage
Harry Mclean, Aiden Daniel Emery, Theodore Thomas Walton +2
Hard carbons are established anodes for lithium-ion batteries and leading candidates for sodium-ion batteries, yet their electrochemical performance is governed by a heterogeneous…
Phonon driven non-equilibrium triggers for thermal runaway in battery electrodes
Harry Mclean, Francis Huw Davies, Ned Thaddeus Taylor +2
Thermal runaway in lithium-ion batteries is governed by the poorly-understood initiation phase, where localised heating introduces instability. Here we identify the three key compo…
Thermal Metamaterials for Enhanced Non-Fourier Heat Transport
Harry Mclean, Francis Huw Davies, Ned Thaddeus Taylor +1
The untapped potential of thermal metamaterials requires the simultaneous observation of both diffusive and wave-like heat propagation across multiple length scales that can only b…
Instability of oxide perovskite surfaces induced by vacancy formation
Ned Thaddeus Taylor, Michael Thomas Morgan, Steven Paul Hepplestone
This work presents a first principles study of the (001) surface energetics of nine oxide perovskites, with a focus on the role of surface vacancies in determining termination stab…
RAFFLE: Active learning accelerated interface structure prediction
Ned Thaddeus Taylor, Joe Pitfield, Francis Huw Davies +1
Interfaces between materials play a crucial role in the performance of most devices. However, predicting the structure of a material interface is computationally demanding due to t…
Strain-engineered inverse charge-funnelling in layered semiconductors
Adolfo De Sanctis, Iddo Amit, Steven P. Hepplestone +2
The control of charges in a circuit due to an external electric field is ubiquitous to the exchange, storage and manipulation of information in a wide range of applications, from e…