About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Local Ordering in Materials and Its Impacts on Mechanical Behaviors, Radiation Damage, and Corrosion
|
Presentation Title |
Dynamic Atomic-scale Understanding of the Initial Stages of Cu Oxidation Revealed by Correlated Environmental TEM and Theoretical Simulations |
Author(s) |
Judith Yang |
On-Site Speaker (Planned) |
Judith Yang |
Abstract Scope |
Much is known about oxygen interaction with metal surfaces and the macroscopic growth of thermodynamically stable oxides. However, the transient stages of oxidation - from nucleation of the metal oxide to formation of the thermodynamically stable oxide - represent a scientifically challenging and technologically important terra incognito. To deepen our understanding of the atomic-scale dynamic processes of Cu oxidation, we are correlating in situ high-resolution environmental TEM (ETEM) with atomistic theoretical simulations. As an example, preferential monolayer-by-monolayer growth along Cu2O(110) planes was noted instead of along Cu2O(100) planes. Correlated Density Functional Theory (DFT) simulations show that the monolayer formation of Cu2O along Cu2O(110) was both thermodynamically and kinetically preferred over that of Cu2O(100) during Cu2O growth, in agreement with our experiments. These results shed new light on the epitaxial oxide growth mechanism and provide a deeper understanding of the dynamic processes and structural evolution involved in oxidation. |
Proceedings Inclusion? |
Planned: |