SFB 1415: Chemistry of Synthetic Two-Dimensional Materials

二维材料(2DM)在过去的十年里变得流行起来，并在应用方面提供了巨大的前景。2DM代表了一类具有单层到几层厚度的低维材料(≤10层)，在原子/分子水平上具有很高的结构定义。它们的特征是一维具有纳米级的厚度，而另两维则具有“无限”的大小。此外，层状2DM表现出较强的面内成键和较弱的离面成键。其中一个关键挑战是在原子/分子水平上合成具有高结构可控性的2DMS。该合作研究中心(CRC)致力于控制自下而上合成具有高结构定义的新型合成2DMS。因此，我们将集中在两条途径上：1)自下而上地合成晶态层叠材料，然后将其剥离成薄纳米片；2)通过基于分子前体的溶液构建/自组装、表面和界面辅助合成直接合成单层或少数层2DMS。第二种途径包括原子层沉积(ALD)和表面合成。我们将开发有机和无机2D及其杂化超结构，包括有机2D聚合物(2DPs)、2D共价有机骨架(COF)、2D金属-有机骨架(MOF=MOFene)、无机2D拓扑绝缘体(2D TIS)、2D过渡金属二卤化物(TMDCs)、2D纳米小片(NPLs)、2D层状有机/金属卤化物(OMHs)以及2D van der Waals异质结构(VdWHs)。此外，我们还将重点介绍原位和非原位光谱、显微和衍射表征方法，这些方法将使我们能够分析2DMS的形貌、组成、结构、结晶度、缺陷和晶界，监测反应机理，以及研究2DMS的表面/边缘功能化和物理化学性质。我们的第三个重点是用先进的理论方法和模型从理论上解决2DM的化学和物理现象，并预测2DM的形成和它们的物理化学性质。这一理论贡献将有助于理解2DMS的结构、分子在溶液或表面(或界面)中的排列和相互作用、2DMS的生长机制以及晶格拓扑、缺陷和应变效应对其光学、电子、机械、催化和传输性质的影响。在此背景下，将建立三个研究领域，分别是A)材料合成，B)结构与性能表征和C)理论。除了研究项目外，综合研究培训小组2D材料将提供一个框架，为博士生提供跨学科能力以及软技能和技术技能方面的额外教育和培训，以提高他们的资格并帮助他们建立职业道路。

Two-dimensional materials (2DMs) became popular over the last decade and offer great promise in applications. 2DMs represent a class of low-dimensional materials with single- to few-layers thickness (≤10 layers) and high structural definition at the atomic/molecular level. They are featured by nanoscale thickness in one dimension and “infinite” size in the other two dimensions. Moreover, layered 2DMs exhibit strong in-plane bonding and weak out-of-plane bonding. One of the key challenges is to synthesize 2DMs with high structural control at the atomic/molecular level. This Collaborative Research Centre (CRC) aims at the controlled bottom-up synthesis of novel synthetic 2DMs with high structural definition. Therefore, we will focus on two pathways: 1) bottom-up synthesis of crystalline layer-stacked materials followed by their exfoliation into thin nanosheets; 2) direct synthesis of single- or few-layer 2DMs via solution-based construction/self-assembly from molecular precursors, surface- and interface-assisted syntheses. The second pathway involves atomic layer deposition (ALD) and on-surface synthesis. We will develop organic and inorganic 2DMs, as well as their hybrid superstructures, which includes organic 2D polymers (2DPs), 2D covalent organic frameworks (COFs), 2D metal-organic frameworks (MOFs) (single-layer MOF = MOFene), inorganic 2D topological insulators (2D TIs), 2D transition metal dichalcogenides (TMDCs), 2D nanoplatelets (NPLs), 2D layered organic/metal halides (OMHs) as well as 2D van der Waals heterostructures (vdWHs). Moreover, we will focus on in-situ and ex-situ spectroscopic, microscopic and diffraction characterization methods, which will allow us to analyse the morphologies, compositions, structures, crystallinity, defects and grain boundaries, monitor the reaction mechanisms, as well as investigate the surface/edge functionalization and physicochemical properties of 2DMs. Our third focal point is to theoretically tackle the chemical and physical phenomena of 2DMs using advanced theoretical methods and models, and to predict the 2DM’s formation and their physical and chemical properties. The theoretical contribution will provide understanding on the structure of 2DMs, the molecular arrangement and interaction in solution or on surface (or at interface), the growth mechanisms of 2DMs, and the influence of lattice topologies, defects and strain effects on the optical, electronic, mechanical, catalytic and transport properties. In this context, three research areas will be established, which bridge A) material synthesis, B) structural & property characterizations and C) theory. Apart from the research projects, the Integrated Research Training Group 2D Materials will provide a framework to offer additional education and training in interdisciplinary competencies as well as soft and technical skills for the doctoral candidates in order to advance their qualifications and assist them building their career path.