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苯并三唑在 Cu(111)表面的吸附初始阶段。

Initial stages of benzotriazole adsorption on the Cu(111) surface.

机构信息

EaStCHEM and School of Chemistry, University of St. Andrews, St. Andrews, KY16 9ST, UK.

出版信息

Nanoscale. 2013 Jun 21;5(12):5269-73. doi: 10.1039/c3nr00724c.

DOI:10.1039/c3nr00724c
PMID:23652707
Abstract

Benzotriazole (BTAH) has been used as a copper corrosion inhibitor since the 1950s; however, the molecular level detail of how inhibition occurs remains a matter of debate. The onset of BTAH adsorption on a Cu(111) single crystal was investigated via scanning tunnelling microscopy (STM), vibrational spectroscopy (RAIRS) and supporting DFT modelling. BTAH adsorbs as anionic (BTA(-)), CuBTA is a minority species, while Cu(BTA)2, the majority of the adsorbed species, form chains, whose sections appear to diffuse in a concerted manner. The copper surface appears to reconstruct in a (2 × 1) fashion.

摘要

苯并三唑 (BTAH) 自 20 世纪 50 年代以来一直被用作铜腐蚀抑制剂;然而,其抑制作用发生的分子水平细节仍然存在争议。通过扫描隧道显微镜 (STM)、振动光谱 (RAIRS) 和支持的 DFT 建模研究了 BTAH 在 Cu(111)单晶上的吸附起始。BTAH 作为阴离子 (BTA(-)) 吸附,CuBTA 是少数物种,而 Cu(BTA)2 是吸附物种的主要部分,形成链,其部分似乎以协同方式扩散。铜表面似乎以 (2×1) 的形式重构。

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