Correlations and defects in graphene and related materials: Charge and heat transport

石墨烯及相关材料的相关性和缺陷：电荷和热传输

• 批准号: 397373743
• 负责人: Privatdozent Dr. Igor Gornyi
• 金额: --
• 依托单位: Institut für Experimentalphysik
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2018
• 资助国家: 德国
• 起止时间: 2017-12-31 至 2021-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/397373743?language=en
• 关键词: Correlations; defects; graphene; related; materials

The project GRANSPORT aims at developing a global and comprehensive portfolio of realistic modelling tools for studying transport in materials of relevance for technology innovation in the Graphene Flagship. Within the Joint Transnational Call 2017 Graphene, GRANSPORT will provide a platform for merging analytical and computational approaches to investigate transport properties of complex forms of graphene and related 2D materials (GRM), including their hybrid structures. The consortium consists of renowned groups that all are very active and experienced in the fields of analytical theory, first-principles calculations, multiscale methods, and experimental studies of graphene and GRM. GRANSPORT will establish a parallel complementary task force and action to support the existing Flagship activities. The key research objectives of the project are as follows: (i) to develop an effective description of graphene and GRM structures, including tight-binding modelling (Kwant) enhanced by Quantum Monte-Carlo and DMRG machinery, hydrodynamic and kinetic-equation description of GRM with machine learning component; (ii) to study, both theoretically and experimentally, charge and heat transport, correlations, as well as far-from-equilibrium kinetics; (iii) to investigate the interplay of elastic and transport properties of GRM, applying multiscale modelling to achieve high predictability of theoretical description in detailed comparison with experiment; (iv) to bring together theory and experimental efforts in order to design and investigate novel devices based on GRM heterostructures and superconductors; (v) to work out interfaces between nano- and mesoscale computational approaches, including experimental characterization, microscopic validation and parameterization of large-scale models and establishing the library of defects and impurities in GRM. By exploring the charge and heat transport from nano- to mesoscale, GRANSPORT will enable conceptually new approach to complex structures to exploit the potential of 2D materials for electronic, plasmonic, photonic, and quantum communication applications. Networking European leaders in advanced quantum simulations and analytical theory by GRANSPORT will be highly beneficial for the priority science and technology goals of the Flagship.

该项目Gransport旨在开发一个全球和全面的现实建模工具组合，用于研究石墨烯旗舰中技术创新相关材料的运输。在联合跨国呼叫2017石墨烯中，Gransport将为合并分析和计算方法提供一个平台，以研究石墨烯和相关2D材料（GRM）的复杂形式的运输特性，包括其混合结构。该财团由著名的群体组成，这些群体在分析理论，第一原理计算，多尺度方法以及石墨烯和GRM的实验研究中都非常活跃和经验。 Gransport将建立一个平行的补充工作组和行动，以支持现有的旗舰活动。该项目的关键研究目标如下：（i）开发对石墨烯和GRM结构的有效描述，包括通过量子蒙特卡洛和DMRG机械增强的紧密结合建模（Kwant），对GRM的水动力和动力学等方程描述，并具有机器学习成分； （ii）在理论和实验上研究，电荷和热传输，相关性以及远距离平衡动力学； （iii）研究GRM的弹性和运输特性的相互作用，应用多尺度建模以在与实验的详细比较中实现理论描述的高可预测性； （iv）将理论和实验努力汇总在一起，以设计和研究基于GRM异质结构和超导体的新型设备； （v）确定纳米和中尺度计算方法之间的接口，包括大规模模型的实验表征，显微镜验证和参数化，并在GRM中建立缺陷和杂质的库。通过探索从纳米到中尺度的电荷和热传输，Gransport将在概念上为复杂的结构提供新的方法，以利用2D材料对电子，等离子，光子和量子通信应用的潜力。通过Gransport进行高级量子模拟和分析理论的欧洲领导者将对旗舰的优先科学和技术目标非常有益。