Simulation-Based Predictive Analysis and Optimization of Multi-Layer 2D Flexible Nanoelectronic Devices

基于仿真的多层二维柔性纳米电子器件的预测分析和优化

• 批准号: RGPIN-2014-05920
• 负责人: Yoon, Youngki
• 金额: $ 2.19万
• 依托单位: University of Waterloo
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2019
• 资助国家: 加拿大
• 起止时间: 2019-01-01 至 2020-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=683628
• 关键词: Simulation; Based; Predictive; Analysis; Optimization

The electronics industry has changed dramatically over the last decade, shifting its focus from high performance to mobile applications; today's technology drivers typically target low-power, lightweight, transparent and flexible functionality. In this regard, a new class of thin, 2D layered nanomaterials is favorable, offering numerous opportunities for emerging electronic devices.**Like highly confined conventional 3D semiconductors, electronic properties of layered materials change substantially with the thickness of material (i.e., the number of layers), but in a quite different manner such that the change of band structure is beyond the simple physical confinement effects. In addition, unlike single-layer materials, the transport properties of a multi-layer system are significantly affected by interactions between the neighboring layers. Furthermore, different combination of 2D materials, particularly those that include artificial lateral heterostructures (e.g., graphene and hexagonal boron nitride), may enable new functionality. Such novel 2D materials are promising for future electronic devices specifically on plastic substrates due to their thinness and flexibility. However, our understanding of multi-layer flexible electronic devices is still in its infancy and our current fabrication and engineering methods for these devices are far from optimal. Therefore, the proposed Discovery Grant program will pursue critical new fundamental understanding of the basic scientific and complex engineering problems underlying multi-layer 2D flexible nanoelectronics through highly efficient computer simulations.**The program will build upon the applicant's recent research in quantum transport simulations for emerging devices based on various nanomaterials including nanowires (1D), graphene (2D) and confined InAs (3D). From the simulation viewpoint, the investigation of multi-layer 2D nanoelectronics calls for fundamentally different approaches from single-layer or confined 3D semiconductor devices. Therefore, the investigation of quantum transport in multi-layer systems, especially in the presence of out-of-plane strain will indeed be groundbreaking in this field. In pursuing the program's overall goals, several shorter-term objectives will be addressed over the next five years, each of which will advance the state-of-knowledge on layered material electronics and provide a unique training environment for imparting leading edge skills in computational nanotechnology research: (1) To obtain fundamental understanding of layered-material flexible electronics with external stress through atomistic quantum transport simulations; (2) To provide accurate predictions and ultimate optimization of such nanodevices; (3) To develop a highly efficient parallel code to quickly solve large-scale diffusive transport problems of 2D flexible electronics; (4) To calibrate theoretical models with experiments.**Outcomes of this research program will provide deep insights into multi-layer 2D flexible electronics, laying critical groundwork for the future, ultra-portable and flexible electronic devices. Currently global semiconductor industry has a $300 billion market per year and the development of this research program will bring huge economic benefit to Canada's IT industries as the source of information is shifting rapidly from desktop to mobile devices. In addition, this research will help position Canada at the forefront of nanoelectronics research through HQP training; two PhD and three MASc and one Undergraduate Co-op students will be trained to acquire unique skills of numerical simulations including non-equilibrium Green's function method, and graduates from this program will be highly sought after by both research organization and industries.

在过去的十年里，电子行业发生了巨大的变化，将其重点从高性能转移到移动应用；今天的技术驱动通常以低功耗、轻量化、透明和灵活的功能为目标。在这方面，一类新的薄的二维层状纳米材料是有利的，为新兴的电子设备提供了许多机会。**与高度受限的传统3D半导体一样，层状材料的电子特性随着材料厚度（即层数）的变化而发生了很大的变化，但变化的方式完全不同，因此能带结构的变化超出了简单的物理约束效应。此外，与单层材料不同，多层系统的输运性质受到相邻层之间相互作用的显著影响。此外，二维材料的不同组合，特别是那些包含人工横向异质结构的材料（例如石墨烯和六方氮化硼），可能会实现新的功能。这种新颖的二维材料由于其轻薄和柔韧性，在未来的电子设备上具有很大的前景，特别是在塑料基板上。然而，我们对多层柔性电子器件的理解仍处于起步阶段，目前这些器件的制造和工程方法远非最佳。因此，提出的发现资助计划将通过高效的计算机模拟，追求对多层二维柔性纳米电子学基础科学和复杂工程问题的关键新基础理解。**该项目将建立在申请人最近对基于各种纳米材料（包括纳米线（1D），石墨烯（2D）和受限InAs (3D)）的新兴器件的量子输运模拟的研究基础上。从模拟的角度来看，多层二维纳米电子学的研究需要与单层或受限的三维半导体器件有根本不同的方法。因此，研究多层系统中的量子输运，特别是在面外应变存在下的量子输运，将是这一领域的开创性研究。在追求该项目的总体目标的过程中，几个短期目标将在未来五年内得到解决，每个目标都将推进层状材料电子学的知识状态，并为传授计算纳米技术研究的前沿技能提供独特的培训环境：(1)通过原子量子输运模拟获得对具有外部应力的层状材料柔性电子学的基本理解；(2)对纳米器件进行准确预测和最终优化；(3)开发高效并行代码，快速求解二维柔性电子器件的大规模扩散输运问题；(4)用实验校准理论模型。**该研究项目的成果将为多层二维柔性电子产品提供深入的见解，为未来的超便携和柔性电子设备奠定关键基础。目前全球半导体行业每年有3000亿美元的市场，随着信息来源从桌面设备迅速转移到移动设备，这项研究计划的发展将为加拿大的IT行业带来巨大的经济效益。此外，这项研究将通过HQP培训帮助加拿大在纳米电子学研究的前沿地位；培养博士生2名、硕士生3名、本科生1名，培养具有非平衡格林函数法等数值模拟的独特技能，培养的毕业生将受到研究机构和行业的高度追捧。