炸药单分子片层的制备及其对力电的响应行为

项目名称： 炸药单分子片层的制备及其对力电的响应行为

项目编号： No.11272292

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 杨光成

作者单位： 中国工程物理研究院化工材料研究所

项目金额： 78万元

中文摘要： 单分子（原子）片层材料在光学、电学、力学等方面表现出块体材料所不具有的优异性能，在光电转换、储能、催化等领域具有突出的应用前景。目前对单分子片层材料研究主要集中在较稳定的物质，从未涉及炸药这类亚稳态有机物。本项目拟在不同基底材料上制备炸药单分子片层，利用炸药分子间的氢键作用实现分子的紧密有序排列；利用炸药分子硝基基团共轭体系的导电性及在负载下的形变特性，实现炸药单分子片层的力电响应；揭示炸药在单分子片层状态下对微弱力、电的响应规律和电荷传输机制，深入理解硝基基团的构象、离域电子的导电能力随负载的变化规律。通过本项目的研究，必将促进科研人员从分子尺度上深入理解炸药的本征性能，为研究单个炸药分子在其他微小刺激（光、热、微波等）下的反应行为提供参考，为炸药单分子片层在高敏度微力传感器中的应用提供理论依据。

中文关键词： LLM-105；单分子片层；有机小分子；力电特性；

英文摘要： One-molecule or atom-thick nanosheets are highly sought because of their great potential in many fields, such as photoelectric conversion, energy storage, catalysis, benefiting from their excellent optical, electrical, mechanical properties compared with their micro- or macroscopic counterparts. Till now, such nanosheets are mainly restricted to the stable materials. On the contrary, there is few studies on metastable organic nanosheets (explosive, for example). In this project, we plan to prepare a compact and orderly one-molecule-thick explosive nanosheets on special substrate through hydrogen bonding between explosive molecules, and its force-current dependence property can be realized by using the electrical conductivity of -NO2 resulting from conjugated system and the changes of conformation under external forces. In addition, the responding law to micro-force and electrical stimulation and the charge transmission mechanism of explosive nanosheets are also discussed, which is helpful for us to deeply understand the change regularity of conformations and the electric conductivity of -NO2 with load.We hope the studies in the project can give a boost to insight into the performance of explosive at the molecular scale, provide reference for studing single-molecule responsing to micro-stimulation (e.g. light, ho

英文关键词： LLM-105；single molecule nanosheet；Organic molecules；force-current characteristics；