Department of Chemical Physics, Fritz-Haber-Institute, Faradayweg 4-6, D-14195 Berlin, Germany.
ACS Nano. 2010 Feb 23;4(2):863-8. doi: 10.1021/nn901609e.
The stabilization of single Fe atoms in the nanopores of an ultrathin silica film grown on Mo(112) is demonstrated with scanning tunneling microscopy (STM) and density functional theory (DFT). The Fe atoms are able to penetrate the openings in the oxide surface and adsorb in two different binding configurations at the metal-oxide interface. In the energetically preferred site, the Fe stays monomeric even at temperatures above 300 K. In the second configuration that is adopted in 10% of the cases, surface atoms can be attached to the subsurface species, resulting in the formation of Fe surface clusters. The interfacial Fe atoms preserve their magnetic moment, as shown by a distinct Kondo-like response in STM conductance spectra and DFT calculations.
采用扫描隧道显微镜(STM)和密度泛函理论(DFT),证明了在 Mo(112) 上生长的超薄二氧化硅薄膜的纳米孔中稳定的单个 Fe 原子。Fe 原子能够穿透氧化物表面的开口,并在金属-氧化物界面处以两种不同的结合构型吸附。在能量上更有利的位置,即使在 300 K 以上的温度下,Fe 仍然保持单体状态。在第二种构型中,有 10%的情况下,表面原子可以与亚表面物种结合,导致 Fe 表面团簇的形成。界面处的 Fe 原子保持其磁矩,这可以通过 STM 电导谱和 DFT 计算中的明显的类 Kondo 响应来证明。