Electrical double layer and capacitance of TiO2 electrolyte interfaces
from first principles simulations
Electrical double layer and capacitance of TiO2 electrolyte interfaces
from first principles simulations
The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understanding its microscopic structure is challenging for both theory and experiments. Here we employ ab initio-based machine learning potentials including long-range electrostatics in large-scale atomistic simulations of the EDL …