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On-surface synthesis of covalently bonded molecular structures on insulators

绝缘体上共价键分子结构的表面合成

基本信息

批准号：
391347986
负责人：
Professor Dr. Jascha Repp
金额：
--
依托单位：
Fyzikální ústav AV ČR
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2017
资助国家：
德国
起止时间：
2016-12-31 至 2021-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/391347986?language=en
关键词：
surface synthesis covalently bonded molecular

项目摘要

The field of bottom-up fabrication of tailored organic molecular nanostructures on surfaces has shifted towards covalently bonded structures in recent years - among other reasons, because they are more stable and allow for a strong electronic coupling. A most prominent example is the bottom-up synthesis of atomically precise graphene nanoribbons. As in the on-surface chemical reactions employed so far the metal substrate played a key role in initiating the reaction, working on insulators requires new strategies for bond formation between organic molecules. However for applications in opto- and nano-electronics insulating surfaces are required. The aim of this project is to enable bottom-up fabrication of tailored organic molecular nanostructures also on insulating substrates under ultra-high-vacuum conditions. To this end, we will scrutinize two routes, namely Pd-catalyzed cross-coupling and light-induced radical formation followed by a chemical synthesis between radicals. The methods of choice to investigate the structures and possible intermediates will be scanning probe techniques including their spectroscopic modes of operation. The experimental studies will be supported by state-of-the-art theoretical analysis from our collaboration partner including density functional theory calculations, image simulations and non-adiabatic molecular dynamics with electronic transitions. We are convinced that this project - if funded - will provide completely novel routes in on-surface reactions and thereby create a platform for bottom-up synthesis on insulators.

近年来，在表面上自下而上制造定制的有机分子纳米结构的领域已经转向共价键合结构-其中一个原因是它们更稳定，并且允许强电子耦合。最突出的例子是自下而上合成原子级精确的石墨烯纳米带。在迄今为止所采用的表面化学反应中，金属基底在引发反应中起着关键作用，在绝缘体上工作需要有机分子之间形成键的新策略。然而，对于光学和纳米电子学中的应用，需要绝缘表面。该项目的目的是使定制的有机分子纳米结构的自下而上的超高真空条件下的绝缘基板上的制造。为此，我们将仔细研究两种途径，即钯催化的交叉偶联和光诱导自由基形成，然后自由基之间进行化学合成。研究结构和可能的中间体的方法将是扫描探针技术，包括其光谱操作模式。实验研究将得到我们合作伙伴最先进的理论分析的支持，包括密度泛函理论计算，图像模拟和具有电子跃迁的非绝热分子动力学。我们相信，这个项目-如果得到资助-将提供全新的表面反应路线，从而为绝缘体上自下而上的合成创造一个平台。