论文标题
将硼沉积在Cu上（111）：硼苯或硼化物？
Depositing boron on Cu(111): Borophene or boride?
论文作者
论文摘要
大面积的单晶表面结构在Cu（111）底物上成功制备了硼沉积，这对于前瞻性应用至关重要。但是，所提出的唯一孤独的结构与扫描隧道显微镜（STM）的结果不匹配，而所提出的铜硼化铜与传统知识的不一致是，由于有序富含铜的硼硼通常是由于电负性的差异很小，而原子质大小的差异很大。 To clarify the controversy and elucidate the formation mechanism of the unexpected copper boride, we conducted systematic STM, X-ray photoelectron spectroscopy and angle-resolved photoemission spectroscopy investigations, confirming the synthesis of two-dimensional copper boride rather than borophene on Cu(111) after boron deposition under ultrahigh vacuum.第一原理与有缺陷的表面模型的计算进一步表明，硼原子倾向于与露台边缘或缺陷附近的Cu原子反应，这又构成了铜硼铜的中间结构，并导致形成稳定的Cu-B单层通过大型表面重建的形成。
Large-area single-crystal surface structures were successfully prepared on Cu(111) substrate with boron deposition, which is critical for prospective applications. However, the proposed borophene structures do not match the scanning tunneling microscopy (STM) results very well, while the proposed copper boride is at odds with the traditional knowledge that ordered copper-rich borides normally do not exist due to small difference in electronegativity and large difference in atomic size. To clarify the controversy and elucidate the formation mechanism of the unexpected copper boride, we conducted systematic STM, X-ray photoelectron spectroscopy and angle-resolved photoemission spectroscopy investigations, confirming the synthesis of two-dimensional copper boride rather than borophene on Cu(111) after boron deposition under ultrahigh vacuum. First-principles calculations with defective surface models further indicate that boron atoms tend to react with Cu atoms near terrace edges or defects, which in turn shapes the intermediate structures of copper boride and leads to the formation of stable Cu-B monolayer via large-scale surface reconstruction eventually.
