Figure 2 | Scientific Reports

Figure 2

From: Minimising oxygen contamination through a liquid copper-aided group IV metal production process

Figure 2

Reduction behaviour of ZrO2 according to the process temperature. Schematic representations of the electroreduction system at (a) the initial state, (b) below the melting point of Cu, and (c) above the melting point of Cu. DFT-MD simulation snapshots after 10 ps of reaction time at (d) 400 K, (e) 1000 K, and (f) 1380 K. (g) The simulations indicated that ZrO2 on the Cu(111) surface at 1380 K did not penetrate into liquid Cu phase because of repulsive forces. Copper, cyan, and red spheres represent Cu, Zr, and O atoms, respectively.

Back to article page