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

化学结构、动力学和机制项目支持新不伦瑞克罗格斯大学的Robert Bartynski教授和纽瓦克罗格斯大学的Elena Galoppini教授之间的合作研究，研究用于改进太阳能转换装置的可调谐连接偶极子的合成和表征。这项研究汇集了一位合成化学家和一位表面物理学家，旨在通过在分子水平上调整有机覆盖层的特性，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，这些材料广泛应用于包括分子电子学和光伏发电在内的各种应用领域。通过多种功能性有机化合物的分子设计，研究小组将修改分子能级（HOMO-LUMO）排列，调整电荷的给予和撤回，并影响有机分子/半导体界面的分子键几何形状。这将通过与金属氧化物（TiO2和ZnO）或有机（rubrene）半导体表面结合的具有头-连接-锚（HLA）结构的化合物来实现。头基(H)将是有机发色团或电子供体或受体基团，连接单元(L)将包含一个内部分子偶极子。刚性连接将被设计成与半导体有机或无机表面以明确的方向和距离结合。电子结构，染料氧化物能级排列，结合几何，以及HLA化合物在半导体衬底上的分子间相互作用的影响将使用广泛的阵列，最先进的超高真空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。这项研究的广泛影响，主要来源于有机/半导体界面的分子水平控制，将触及许多科学和技术领域，包括光催化材料，光伏，发光二极管和其他器件。该计划的教育部分将产生两个创新研究模块，学生将获得实践经验，这将巩固基础科学研究与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相似的分子构建简单的太阳能电池，但这些分子在日常生活中也能找到。这些模块很容易适用于罗格斯大学两个校区的本科生实验室，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。学生交换和博士论文的共同指导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扩大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.