First-principles molecular dynamics simulations on water-solid interface behavior of h2o-based atomic layer deposition of zirconium dioxide

HIGHLIGHTS

• who: Rui Xu and collaborators from the Wenzhou University, Wenzhou, China have published the Article: First-Principles Molecular Dynamics Simulations on Water-Solid Interface Behavior of H2O-Based Atomic Layer Deposition of Zirconium Dioxide, in the Journal: Nanomaterials 2022, 12, x FOR PEER REVIEW Figure 8. FPMD simulation snapshots at 0 (a), 1000 (b) and 3000 fs (c) of the water-solid interface Figure 8. FPMD simulation snapshots at 0 (a), 1000 (b) and 3000 fs (c) of the water-solid interface reaction of ZrO2 at site A. reaction of ZrO2 at site A. of /2022/
 



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