Figure 1From: First-principles investigation on the segregation of Pd at LaFe1-xPd x O3-y surfacesSide views of FeO 2 -terminated surfaces. A vacuum region with a thickness of 11 Å is placed above the top surface. The green, brown, and red spheres correspond to La, Fe, and O, respectively. The computational unit cell used in the present research is indicated by the black solid line. The bottom two layers were fixed during optimization.Back to article page