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Interfacial Thermal Transport and Electrical Performance of Supercapacitors with Graphene/Carbon Nanotube Composite Electrodes
Sobin Alosious, Shern R. Tee, Debra J. Searles
Advanced supercapacitors have great potential to transform how we store and utilize energy, leading to more efficient and sustainable energy systems. This study reveals the structu…
Machine learning a time-local fluctuation theorem for nonequilibrium steady states
Stephen Sanderson, Charlotte F. Petersen, Debra J. Searles
Fluctuation theorems (FTs) quantify the thermodynamic reversibility of a system, and for deterministic systems they are defined in terms of the dissipation function. However, in a…
Constant Potential and Constrained Charge Ensembles for Simulations of Conductive Electrodes
Shern Ren Tee, Debra J. Searles
Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at…