I aim to improve the electrochemical phase field modeling to predict the deposition/dissolution phenomena in various electrochemical systems.
In Li metal batteries, the morphology of Li deposition likely depends on structures of the Li metal anode. An uneven surface of Li foil leads to the accumulation of nucleation site for Li dendrite due to the accumulated electric field distribution. In contrast, for a Li nanotube whose tubular wall is ultra-uniform, Li dendrite is not observed. Below are the phase field simulations of Li deposition on Li foil and Li nanotube. Click the link on the left to visit department news
K. Tantratian et al., "Stable Li metal anode enabled by space confinement and uniform curvature through lithiophilic nanotube arrays", Advanced Energy Materials, 2020/10.1002/aenm.201902819
Mechanically hard solid-state electrolytes are expected to effectively suppress Li dendrite formed on the Li metal anode surface due to their impressive elastic modulus. However, several experiment observations show otherwise. The differences in mechanical and electronic properties between the grain boundary and the bulk grain are the key. The Li morphology is primarily controlled by such an interfacial stress difference induced by the mismatch of the elastic (or plastic) properties between GB and grain. In addition, excess electrons trapped in GB trigger Li nucleation far from the Li metal surface.
K. Tantratian et al., "Unraveling the Li Penetration Mechanism in Polycrystalline Solid Electrolytes", Advanced Energy Materials, 2021 10.1002/aenm.202003417
Mechanical stress impacts the corrosion behavior by shifting the potential of the metal electrode. The (external and residual) stress contribution to the dissolution process is taken into account. The temporal evolution of stress and the corrosion pit morphology is simulated.