Melamine structures on the Au(111) surface

Melamine structures on the Au(111) surface
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DOI:
10.1021/jp8033769
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发表时间:
2008-07-31
影响因子:
3.7
通讯作者:
Kantorovich, Lev
Kantorovich, Lev
中科院分区:
化学3区
文献类型:
--
作者:
Silly, Fabien;Shaw, Adam Q.;Kantorovich, Lev

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我们报道了三聚氰胺分子在Au(111)-(22xRoot3)表面形成的有序结构的联合实验和理论研究。在超高真空条件下拍摄的扫描隧道显微镜(STM)图像显示了两个不同的单分子膜,其中一个以前从未在黄金上报道过。我们还发现,其中一个结构可能是由另一种排列形成的岛屿之间的过渡区(“磁区墙”)。使用最先进的密度泛函计算,结合基于考虑三聚氰胺分子相互形成的所有平面结构的系统的气相分析,我们提出了结构和过渡区的原子模型。
We report on a joint experimental and theoretical study of the ordered structures of melamine molecules formed on the Au(111)-(22 x root 3) surface. Scanning tunneling microscopy (STM) images taken under UHV conditions reveal two distinct monolayers one of which has never been reported before on gold. We also find that one of the structures may serve as a transition region ("domain wall") between islands formed by the other arrangement. Using state-of-the-art density functional calculations in conjunction with a systematic gas-phase analysis based on considering all planar structures melamine molecules can form with each other, we propose atomistic models for both structures and the transition region.