UTC Power, South Windsor, Connecticut 06074, United States.
Nano Lett. 2011 Sep 14;11(9):3714-9. doi: 10.1021/nl2017459. Epub 2011 Aug 3.
We determined the size-dependent specific and mass activities of the oxygen reduction in HClO(4) solutions on the Pt particles in the range of 1-5 nm. The maximal mass activity at 2.2 nm is well explained based on density functional theory calculations performed on fully relaxed nanoparticles. The presence of the edge sites is the main reason for the low specific activity in nanoparticles due to very strong oxygen binding energies at these sites. Our results clearly demonstrate that the catalytic activity highly depends on the shape and size of the nanoparticles.
我们确定了在 1-5nm 范围内的 Pt 颗粒在 HClO4 溶液中氧还原的尺寸依赖性比活性和质量活性。在完全弛豫的纳米颗粒上进行的密度泛函理论计算很好地解释了在 2.2nm 时的最大质量活性。由于这些位置的氧结合能非常强,边缘位置的存在是纳米颗粒中比活性低的主要原因。我们的结果清楚地表明,催化活性高度依赖于纳米颗粒的形状和尺寸。