BORON-NITRIDE DOPED POLYCYCLIC AROMATIC HYDROCARBON CO-CRYSTALS FOR 2-D MOLECULAR RECOGNITION

该研究项目的想法是解决使用扩展的多环芳烃（PAH）获得有机半导体的受控功能的挑战，该多环芳烃编码通过芳香族框架的位点特异性掺杂来定义性质和自组装性质的官能化。这可以通过用同构和等电子的硼-氮对（BN）取代C=C键并利用其键的极性来编程功能性质来实现。通过改变掺杂剂/碳比率和掺杂模式，可以定制有机半导体的所需化学、光学、散热和分子识别性质。这个想法是为两个主要应用准备材料：小分子气体传感和热管理。科学目标（SO 1 -4）。我们将从结构编程的树枝状前体（SOs1&2）开始制备分子石墨烯，其中芳基单元在给定位置被环硼氮烷环（B3 N3）取代。设想平坦化（S 03）将产生以预定图案（S 04）布置的掺杂单元为特征的分子石墨烯的形成。这将导致等电子完全平面p共轭模块，每个模块编码有特定的BN掺杂模式和浓度，后者决定了能带隙、热耗散和化学识别性质。该项目的第一部分将集中在合成方法的开发上，允许控制B3 N3环插入纳米石墨烯结构中。预期的学术回报是i）对兴奋剂单位的浓度和排列进行控制，iii）建立兴奋剂/财产关系。技术目标（TO 1 -2）通过设计顶栅底接触（TGBC）和底栅底接触（BGBC）器件，我们将测量薄膜和纳米结构形态材料的电荷载流子迁移率。然后将器械暴露于气体（CO2、CO）。预期化合物的特异性结合选择性地发生在极性掺杂位点，最终影响晶体管的源极-漏极电流（TO 1）。考虑到分析物和半导体材料之间的紧密接近，最好的传感系统原型预计将实现低至毫微微摩尔范围的检测极限，具有低成本，可靠的传感技术。当用掺杂有不同掺杂浓度的材料操作时，预期选择性的显著变化。在第二种途径中，我们将研究半导体（TO 2）的散热特性。一般来说，所有电子设备和电路都会产生过多的热量，因此需要进行热管理以提高可靠性并防止过早失效。为了使从任何装置中去除耗散的热能高效且成本有效，当前的技术（例如，散热器、热电冷却器、强制通风系统和风扇、热管等）应该与显示高导热性的材料结合。鉴于氮化硼（BN）的高导热性，预计该项目中开发的分子可以取代目前的半导体，并允许开发更小的设备，使我们的移动的手机和电脑更凉爽，更安全。

The idea of this research project is to tackle the challenge of gaining controlled functions of organic semiconductors using extended polycyclic aromatic hydrocarbons (PAHs) encoding the functionalization that defines the properties and the self-assembly properties via a site-specific doping of the aromatic framework. This can be achieved through the substitution of the C=C bonds with isostructural and isoelectronic boron-nitrogen couples (BN) and exploiting the polarity of their bonds to program the functional properties. By changing the dopant/carbon ratio and the doping pattern, one can tailor the desired chemical, optical, heat dissipation and molecular recognition properties of the organic semiconductor. The idea is to prepare materials for two main applications: small molecule gas sensing and thermal management.Scientific Objectives (SOs1-4). We will prepare molecular graphenes starting from structurally programmed dendritic precursors (SOs1&2) in which aryl units are substituted in given positions with borazine rings (B3N3). It is envisaged that the planarization (SO3) will yield the formation of molecular graphenes featuring doping units arranged in a predetermined pattern (SOs4). This will lead to isoelectronic fully planar p-conjugated modules each encoded with a specific BN-doping pattern and concentration, the latter dictating both the energy bandgap, thermal dissipation and chemical recognition properties. The first part of the project will be centered on the development of synthetic methodologies allowing the controlled insertion of B3N3-rings into nanographene structures. The expected academic returns are i) control on the concentration and arrangement of the doping units and iii) establishment of a doping/property relation.Technologic Objectives (TOs1-2). By engineering top-gate bottom-contact (TGBC) and bottom-gate bottom-contact (BGBC) devices, we will measure the charge-carrier mobilities of the materials as thin films and nanostructured morphologies. The devices will then be exposed to gases (CO2, CO). A specific binding of the compounds is expected to occur selectively at the polar doping sites, ultimately affecting the source-drain current of the transistors (TO1). Given the close proximity between the analytes and the semiconducting materials, the best sensing system prototype is expected to achieve detections limits down to the femto molar range, with a low-cost, reliable sensing technology. A pronounced variation in the selectivity is expected when operating with materials doped with different doping concentrations. In a second avenue, we will investigate the heat dissipation properties of the semiconductor (TO2). In general, all electronic devices and circuitry generate excess heat and thus require thermal management to improve reliability and prevent premature failure. In order to make efficient and cost-effective the removal of dissipated thermal energy from any devices, current technologies (e.g., heat sinks, thermoelectric coolers, forced air systems and fans, heat pipes to name a few) should be coupled with materials displaying high thermal conductivity. Given the high thermal conductivity of boron nitride (BN), it is expected that the molecules developed in this project can replace current semiconductors and allow the development of even smaller devices and make our mobile phones and computers cooler and safer.