Electrochemistry on the computer: Understanding how to tailor the metal overlayers for the oxygen reduction reaction

Based on first-principles calculations, one-dimensional (1D) zigzag chainlike structures of both Au and Pt atoms are absorbed on the (1 0 1) surface of SnO2, which consist of two-atom units arranged in substrate troughs. The remarkable disparity of surface diffusion barriers between Au and Pt atoms indicates that Pt is more likely to form one-dimensional structure than Au. In addition, electron is confined in lateral direction of nanowire.