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

这一研究项目的目的是解决利用扩展的多环芳烃(PAHs)获得有机半导体受控功能的挑战，该扩展多环芳烃(PAHs)编码的官能化通过芳香族骨架的特定位置掺杂来定义性质和自组装性质。这可以通过用等结构和等电子的硼氮对(BN)取代C=C键并利用它们的键的极性来编程功能性质来实现。通过改变掺杂剂/碳的比例和掺杂模式，人们可以定制所需的有机半导体的化学、光学、散热和分子识别性能。这个想法是为了准备用于两个主要应用的材料：小分子气体传感和热管理。科学目标(SO1-4)。我们将从结构编程的树枝状前体(SO1和SO2)开始制备分子石墨烯，其中芳基单元被硼杂环(B3N3)取代。设想平坦化(SO3)将产生具有以预定图案排列的掺杂单元的分子石墨烯(SO4)。这将导致等电子全平面p共轭模块，每个模块都编码有特定的BN掺杂模式和浓度，后者决定了能隙、热耗散和化学识别性质。该项目的第一部分将集中于开发合成方法，允许将B3N3环受控地插入到纳米层结构中。预期的学术回报是：i)对兴奋剂单位的浓度和安排进行控制，以及iii)建立兴奋剂/财产关系。通过设计上栅底接触(TGBC)和底栅底接触(BGBC)器件，我们将测量材料的载流子迁移率作为薄膜和纳米结构的形态。然后，这些设备将暴露在气体(二氧化碳、CO)中。化合物的特定结合有望选择性地发生在极性掺杂位置，最终影响晶体管的源漏电流(TO1)。考虑到分析物和半导体材料之间的接近程度，最好的传感系统原型有望实现低成本、可靠的传感技术，检测范围可达毫微摩尔范围。当操作不同掺杂浓度的材料时，预计选择性会有显著变化。在第二个途径中，我们将研究半导体(TO2)的散热特性。一般而言，所有电子设备和电路都会产生过热，因此需要进行热管理以提高可靠性并防止过早故障。为了有效和经济地去除任何设备中的散热，目前的技术(例如，散热器、热电冷却器、强迫空气系统和风扇、热管等)应该与具有高导热性的材料相结合。鉴于氮化硼(BN)的高导热系数，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，使我们的手机和电脑更酷、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.