Collaborative Research: Rational Design and Engineering of Atomically Thin Interfaces for Electronic Devices

合作研究：电子设备原子薄接口的合理设计和工程

• 批准号: 1727717
• 负责人: Vivek Shenoy
• 金额: $ 30万
• 依托单位: University of Pennsylvania
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-08-01 至 2021-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1727717&HistoricalAwards=false
• 关键词: Collaborative; Research; Rational; Design; Engineering

The contact between metals and semiconductors is the foundation of modern day electronics. The high performance at relatively low energy cost in today's field effect transistors is achieved by decades long optimization of electrical contacts that has allowed the miniaturization of the device down to nanoscale dimensions. The search for new materials and devices to continue the development of advanced electronic has focused on 2-dimensional (2D) materials such as MoS2. 2D semiconductors that are naturally atomically thin can in principle provide higher performance. While the materials can provide advantages, their implementation is limited by the lack of a useful strategy to make electrical contact to the device. This grant looks to the fundamental nature of these contacts. The combined computational and experimental approach will seek new contact materials and structures to overcome this technological barrier. New contact strategies will be discovered and demonstrated leading to advances in the use of these new materials. Undergraduates will be engaged in the research activities drawing upon and developing underrepresented students into the work. The research seeks to develop a fundamental understanding of atomically thin interfaces formed between two dimensional (2D) materials with disparate properties. The lateral integration of 2D materials is a unique scientific problem that has not been systematically investigated. Novel atomic structures will be identified that are due to deformation induced by interfacial stress as well as the presence of new types of defects when two materials are 'stitched' together. The work examines the role of defects and the strain induced at the structural interface using multi-scale theoretical models, detailed structural characterization, and correlation of mechanics of the interface with electronic transport in field effect transistors. An iterative design approach will be developed that utilizes theoretical models to predict desired properties, experimentally realize hetero-interfaces of 2D materials, and characterize their atomic structure. The experimental work will provide input parameters for refinement of calculations while theoretical models will down select important combinations of 2D materials. This grant develops new theoretical and experimental methods for designing atomically thin interfaces with key 2D materials and their implementation as high performance electrical contacts for electronic systems. The materials selection knowledge for electrical contacts for 2D semiconductors will enable the next generation of high performance electronics that dissipate less heat leading to more energy efficient devices and do not require sophisticated thermal management strategies. The work incorporates undergraduates into the research activities drawing from underrepresented groups.

金属和半导体之间的接触是现代电子学的基础。当今的场效应晶体管以相对低的能量成本实现了高性能，这是通过数十年来对电接触的优化来实现的，这使得器件能够小型化到纳米级尺寸。对新材料和器件的研究以继续先进电子的发展已经集中在二维（2D）材料，例如MoS2。自然原子级薄的2D半导体原则上可以提供更高的性能。虽然这些材料可以提供优点，但它们的实施受到缺乏与设备进行电接触的有用策略的限制。这笔赠款着眼于这些接触的基本性质。计算和实验相结合的方法将寻求新的接触材料和结构，以克服这一技术障碍。新的接触策略将被发现和展示，从而推动这些新材料的使用。本科生将从事研究活动，利用和发展代表性不足的学生进入工作。该研究旨在对具有不同性质的二维（2D）材料之间形成的原子薄界面进行基本了解。二维材料的横向整合是一个独特的科学问题，尚未得到系统的研究。新的原子结构将被确定，这是由于界面应力引起的变形，以及当两种材料“缝合”在一起时存在的新类型的缺陷。这项工作探讨了缺陷的作用，并在结构界面处使用多尺度的理论模型，详细的结构表征，和相关的力学界面与场效应晶体管中的电子输运的应变。将开发一种迭代设计方法，利用理论模型预测所需的性能，实验实现二维材料的异质界面，并表征其原子结构。实验工作将为计算的细化提供输入参数，而理论模型将向下选择2D材料的重要组合。该资助开发了新的理论和实验方法，用于设计具有关键2D材料的原子级薄界面，并将其实现为电子系统的高性能电触点。2D半导体电触点的材料选择知识将使下一代高性能电子产品能够散发更少的热量，从而实现更节能的设备，并且不需要复杂的热管理策略。这项工作将本科生纳入研究活动，从代表性不足的群体中吸取。

项目成果

Modeling the vertical growth of van der Waals stacked 2D materials using the diffuse domain method

• DOI: 10.1088/1361-651x/ab5e9a
• 发表时间: 2019-11
• 期刊: Modelling and Simulation in Materials Science and Engineering
• 影响因子: 1.8
• 作者: Zhenlin Guo;Christopher C. Price;V. Shenoy;J. Lowengrub

Distinguishing electronic contributions of surface and sub-surface transition metal atoms in Ti-based MXenes

• DOI: 10.1088/2053-1583/ab68e7
• 发表时间: 2020-02
• 期刊: 2D Materials
• 影响因子: 5.5
• 作者: Yizhou Yang;Kanit Hantanasirisakul;Nathan C Frey;B. Anasori;R. Green;P. Rogge;I. Waluyo;A. Hunt;P. Shafer;E. Arenholz;V. Shenoy;Y. Gogotsi;S. May

Direct visualization of out-of-equilibrium structural transformations in atomically thin chalcogenides

• DOI: 10.1038/s41699-020-0150-2
• 发表时间: 2020-02
• 期刊: npj 2D Materials and Applications
• 影响因子: 9.7
• 作者: Pawan Kumar;James P. Horwath;Alexandre C. Foucher;Christopher C. Price;Natalia Acero;V. Shenoy;E. Stach;D. Jariwala

Tailoring Electronic and Optical Properties of MXenes through Forming Solid Solutions

• DOI: 10.1021/jacs.0c07395
• 发表时间: 2020-11-11
• 期刊: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
• 影响因子: 15
• 作者: Han, Meikang;Maleski, Kathleen;Gogotsi, Yury
• 通讯作者: Gogotsi, Yury

Prediction of Synthesis of 2D Metal Carbides and Nitrides (MXenes) and Their Precursors with Positive and Unlabeled Machine Learning

• DOI: 10.1021/acsnano.8b08014
• 发表时间: 2019-03-01
• 期刊: ACS NANO
• 影响因子: 17.1
• 作者: Frey, Nathan C.;Wang, Jin;Shenoy, Vivek B.
• 通讯作者: Shenoy, Vivek B.