most citedInstability of oxide perovskite surfaces induced by vacancy formation

3 citations · 6 across the 6 of their papers we have counts for

collaborators

6 papers

physics.optics2026

Compact Variational Neural Networks for Spectral Inference from a Single Nonlinear 2D Perovskite Photodetector

Karl Jonas Riisnaes, Ned Thaddeus Taylor, Hoi Tung Lam +4

Spectroscopy conventionally separates optical frequencies before detection, imposing persistent constraints on footprint, complexity and scalability. Here we establish an alternati…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2026

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…

cond-mat.mtrl-sci2025

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…

cond-mat.mtrl-sci2025★ 3 cited

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…

cond-mat.mtrl-sci2025★ 3 cited

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…