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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Probing Organic Layers on the TiO_2(110) Surface
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Probing Organic Layers on the TiO_2(110) Surface

机译：在TiO_2（110）表面上探测有机层

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In this work,we use first principles simulations to provide features of the dynamic scanning force microscopy imaging of adsorbed organic layers on insulating surfaces.We consider monolayers of formic (HCOOH) and acetic (CH_3COOH) acid and a mixed layer of acetic and trifluoroacetic acids (CF_3COOH) on the TiO_2( 110) surface and study their interaction with a silicon dangling bond tip.The results demonstrate that the silicon tip interacts more strongly with the substrate and the COO~- group than the adsorbed acid headgroups,and,therefore,molecules would appear dark in images.The pattern of contrast and apparent height of molecules is determined by the repulsion between the tip and the molecular headgroups and by significant deformation of the monolayer and individual molecules.The height of the molecule on the surface and the size of the headgroup play a large role in determining access of the tip to the substrate and,hence,the contrast in images.Direct imaging of the molecules themselves could be obtained by providing a functionalized tip with attraction to the molecular headgroups,for example,a positive potential tip.
机译：在这项工作中，我们使用第一原理模拟来提供绝缘表面上吸附的有机层的动态扫描力显微镜成像特征。我们考虑了甲酸（HCOOH）和乙酸（CH_3COOH）的单层以及乙酸和三氟乙酸的混合层（CF_3COOH）在TiO_2（110）的表面上，并研究它们与硅悬空键尖端的相互作用。结果表明，硅尖端与基底和COO〜-的相互作用比被吸附的酸头基更强，因此，分子在图像中会显得很暗。分子的对比度和表观高度的模式取决于尖端与分子头基之间的排斥力以及单分子层和单个分子的显着变形。分子在表面的高度和大小头基的分子在确定尖端接近底物以及因此图像中的对比度方面起着重要作用。可以通过提供对分子头基具有吸引力的官能化末端（例如正电位末端）来获得lves。

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