Collaborative Research: Tailoring organic/semiconductor interfaces by using tunable linker dipoles

化学结构，动力学和机制计划支持罗格斯大学新玩法的Robert Bartynski教授和罗格斯大学纽瓦克的Elena Galoppini教授之间的合作研究，用于改进太阳能转换设备的可调连接偶极子的合成和表征。这项研究汇集了合成化学家和表面物理学家，旨在通过在分子水平上定制有机覆盖层的特性，实现对有机分子和半导体之间界面的电子特性的精确控制。最终，这项工作将增强对有机-无机和有机-有机杂化材料的基本理解和性能，这些材料用于各种应用领域，包括分子电子学和光电子学。通过各种功能有机化合物的分子设计，研究团队将修改分子能级（HOMO-LUMO）排列，调整电荷的捐赠和撤回，并影响有机分子/半导体界面的分子键合几何形状。这将使用具有结合到金属氧化物（TiO 2和ZnO）或有机（红荧烯）半导体表面的头-连接体-锚（HLA）构型的化合物来实现。头基（H）将是有机发色团或电子供体或受体基团，并且连接基单元（L）将含有内部分子偶极。刚性连接体将被设计成以明确定义的取向和距离半导体有机或无机表面的距离结合。电子结构，染料-氧化物能级排列，结合几何形状，和HLA化合物对半导体衬底的分子间相互作用的影响将使用广泛的阵列，最先进的基于真空的表面表征技术进行研究。光谱和电化学测量将补充表面研究。这项研究的更广泛的影响，主要来自有机/半导体界面的分子水平控制，将涉及许多科学和技术领域，包括光催化材料，光催化剂，发光二极管和其他设备。该计划的教育部分将产生两个创新的研究模块，学生获得实践经验，这将巩固基础科研和造福社会的技术进步之间的联系。学生们将根据与本研究中使用的分子类似的分子，但在日常用品中发现，建造简单的太阳能电池。这些模块很容易适应罗格斯大学两个校区的本科实验室，以及涉及K-12学生的演示。这些活动将针对代表性不足的群体，包括来自纽瓦克市区的高中生。学生交流和博士学位的共同指导论文是该项目不可或缺的一部分，合成化学家和物理学家之间的跨学科合作将拓宽两个实验室学生的科学教育和培训。

The Chemical Structure, Dynamics and Mechanisms Program supports collaborative research between Professor Robert Bartynski of Rutgers University at New Brunswick and Professor Elena Galoppini at Rutgers University at Newark on the synthesis and characterization of tunable linker dipoles for improved solar energy conversion devices. This research, which brings together a synthetic chemist and a surface physicist, aims to achieve precise control of the electronic properties of the interface between an organic molecule and a semiconductor by tailoring the properties of the organic overlayer at the molecular level. Ultimately, this work will enhance the fundamental understanding and performance of organic-inorganic and organic-organic hybrid materials that are used in a wide variety of application areas including molecular electronics and photovoltaics. By molecular design of a variety of functional organic compounds, the research team will modify molecular energy levels (HOMO-LUMO) alignment, tune the donation and withdrawal of charge, and influence molecule bonding geometries at organic molecule/semiconductor interfaces. This will be accomplished using compounds with a Head-Linker-Anchor (HLA) configuration bound to metal oxide (TiO2 and ZnO) or organic (rubrene) semiconductor surfaces. The head groups (H) will be either organic chromophores or electron donor or acceptor groups, and the linker units (L) will contain an internal molecular dipole. The rigid linkers will be designed to bind at a well-defined orientation and distance from the semiconducting organic or inorganic surfaces. The electronic structure, dye-oxide energy level alignment, binding geometry, and effects of intermolecular interactions of HLA compounds on semiconductor substrates will be studied using a wide array, state-of-the-art ultrahigh vacuum-based surface characterization techniques. Spectroscopic and electrochemical measurements will complement the surface studies. The broader impact of this research, derived mainly from molecular level control of the organic/semiconductor interface, will touch many areas of science and technology including photocatalytic materials, photovoltaics, light-emitting diodes, and other devices. The educational component of the program will generate two innovative research modules where students gain hands-on experience that will solidify the connection between basic scientific research and technological advances that benefit society. Students will build simple solar cells based on molecules similar to those used in this research, but found in everyday items. The modules are easily adaptable for undergraduate laboratories at the two Rutgers campuses, and for demonstrations that will involve K-12 students. These activities will target underrepresented groups including high-school students from the Newark urban area. Student exchanges and co-advising of Ph.D. theses are integral to the program and the interdisciplinary collaboration between a synthetic chemist and a physicist will broaden the scientific education and training of the students from both laboratories.