The molecular arrangement and electronic properties of submonolayer coverages of cobalt phthalocyanine (CoPc) molecules on the deactivated B-Si(111)- 3 × 3 R 30 ° surface are analyzed using scanning tunneling microscopy and spectroscopy. On the ideal surface, the dangling bonds, which typically prevent an ordered growth of molecules on semiconductors, are removed. However, the presence of single defects enables the opportunity to study the influence of their dangling bonds on the adsorption behavior in detail. Here, we focus on coverage densities below and above the Si-Si( S 5 ) defect density. Our data demonstrate that for all submonolayer coverages, the CoPc molecules adsorb in a flat-lying geometry, with either a circular or a four-leaf cloverlike appearance. Initially, each CoPc molecule adsorbs on top of a Si-Si( S 5 ) defect, while later, also passivated Si adatoms become occupied. For the adsorption on Si-Si( S 5 ) defects, hybridization between its p z orbital and the d z 2 orbital of the Co atom of the molecule occurs, leading to additional hybridization states observed in the tunneling spectra.

中文翻译：

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钴酞菁亚单层覆盖在 B-Si(111)- 3 × 3 R 30° 上的吸附行为

使用扫描隧道显微镜和光谱分析了钝化 B-Si(111)- 3 × 3 R 30° 表面上钴酞菁 (CoPc) 分子的亚单层覆盖的分子排列和电子特性。在理想的表面上，通常会阻止分子在半导体上有序生长的悬空键被去除。然而，单一缺陷的存在使我们有机会详细研究它们的悬空键对吸附行为的影响。在这里，我们关注低于和高于 Si-Si(S 5 ) 缺陷密度的覆盖密度。我们的数据表明，对于所有亚单层覆盖，CoPc 分子以平躺几何形状吸附，具有圆形或四叶三叶草样外观。最初，每个 CoPc 分子吸附在 Si-Si(S 5 ) 缺陷的顶部，而后来，钝化的硅原子也被占据。对于 Si-Si(S 5 ) 缺陷的吸附，其 pz 轨道与分子 Co 原子的 dz 2 轨道之间发生杂化，导致在隧道光谱中观察到额外的杂化态。