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: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=611923
• 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.

电子行业在过去十年中发生了巨大的变化，其重点从高性能转向移动的应用;当今的技术驱动因素通常针对低功耗、轻量级、透明和灵活的功能。在这方面，一类新的薄的2D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。 与高度受限的常规3D半导体一样，层状材料的电子性质基本上随材料的厚度而变化（即，层数），但是以完全不同的方式，使得能带结构的变化超出简单的物理限制效应。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，2D材料的不同组合，特别是包括人工横向异质结构（例如，石墨烯和六方氮化硼）可以实现新的功能。这种新型2D材料由于其薄度和柔性，特别是在塑料基板上的未来电子设备是有希望的。然而，我们对多层柔性电子器件的理解仍处于起步阶段，并且我们目前用于这些器件的制造和工程方法还远远不是最佳的。因此，拟议中的发现资助计划将通过高效的计算机模拟，对多层2D柔性纳米电子学的基础科学和复杂工程问题进行关键的新的基本理解。 该计划将建立在申请人最近在基于各种纳米材料（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研究的基础上。从模拟的角度来看，多层2D纳米电子学的研究需要与单层或受限3D半导体器件完全不同的方法。因此，研究多层体系中的量子输运，特别是在存在面外应变的情况下，将确实是该领域的突破性进展。在追求该计划的总体目标，几个短期目标将在未来五年内解决，其中每一个都将推进分层材料电子学的知识状态，并提供一个独特的培训环境，传授计算纳米技术研究的前沿技能：（1）通过原子量子输运模拟获得外部应力分层材料柔性电子学的基本理解;（2）提供精确的预测和最终优化这样的纳米器件;（3）开发一个高效的并行代码，以快速解决大规模的二维柔性电子扩散输运问题;（4）校准理论模型与实验。 该研究项目的成果将为多层2D柔性电子产品提供深入的见解，为未来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的设备，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，这项研究将有助于通过HQP培训将加拿大定位在纳米电子学研究的最前沿;两名博士和三名MASc和一名本科生合作社学生将接受培训，以获得独特的数值模拟技能，包括非平衡绿色函数方法，该计划的毕业生将受到研究机构和行业的高度追捧。