FMRG: Cyber: A Cyber Nanomanufacturing Platform for Large-scale Production of High-quality MXenes and Other Two-dimensional Nanomaterials

FMRG：Cyber​​：用于大规模生产高质量 MXene 和其他二维纳米材料的网络纳米制造平台

• 批准号: 2134607
• 负责人: Masoud Soroush
• 金额: $ 300万
• 依托单位: Drexel University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-10-01 至 2025-09-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2134607&HistoricalAwards=false
• 关键词: FMRG; Cyber; Nanomanufacturing; Platform; Large

This Future Manufacturing Research Grant (FMRG) CyberManufacturing grant supports research that develops new knowledge related to on-demand, flexible manufacturing of high quality two-dimensional (2D) nanomaterials, such as MXenes. A multidisciplinary team develops the fundamental science for industrial-scale production of 2D titanium carbide MXene flakes economically and with high yield. Due to their superior mechanical and electronic properties, MXenes have applications in electronics, biomedical devices, sensors, catalysts, gas separation, water purification, conductive coatings and smart fabrics, each of which has a large market size which enhances U.S. manufacturing competitiveness, economy and national security. MXenes are currently being produced with highly varying quality at small laboratory scale. This quality inconsistency is due to the high sensitivity of MXene production to processing conditions, variability in raw material quality and poor understanding of atomic- and molecular-level processes. This research aims to understand these processes and use this understanding to enable industrial-scale nanomanufacturing of 2D nanomaterials. The project involves several disciplines including chemistry, chemical engineering, materials science and engineering and computer science. The project helps broaden the participation of women and underrepresented minorities in research and positively impacts engineering education.This project aims to address nanomanufacturing challenges such as rapid discovery, design, and customization of 2D nanomaterials with desired end-product properties. These challenges are addressed by studying, developing, deploying and testing innovative cyber manufacturing solutions. The research involves real-time process monitoring and control and tracking of nanomaterial macroscopic and microscopic properties. The effect of Ti3AlC2 structure, defects and grain morphology on the properties of the resulting Ti3C2 MXene model system is investigated to gain knowledge needed to control extrinsic defects, such as Ti vacancies due to etching and delamination, surface termination compositions and intercalant species. The atomic- and molecular-level processes that are critical for the nano- and macro-scale properties of Ti3C2 are studied theoretically, via first principles calculations and molecular dynamics simulations, and verified experimentally to determine their effects on defects, flake morphologies, and final functional properties. To capture quantitative relationships between nanomaterial properties, manufacturing conditions and nondestructive characterizations such as Raman, SERS and STEM are utilized. Deep neural network models are developed, trained, and deployed to capture and represent these relationships in readily available forms. Technoeconomic analysis and life cycle assessment ensure the economic viability, safety and sustainability of the envisioned nanomanufacturing industrial-scale platform for MXene production.This project is supported with co-funding from Civil, Mechanical and Manufacturing Innovation (CMMI) and Engineering Education Center (EEC) Divisions in the Engineering (ENG) Directorate, the Division of Materials Research (DMR) and Chemistry (CHE) Division in the Directorate for Mathematical and Physical Sciences (MPS), and the Division of Undergraduate Education (DUE) in the Directorate of Education and Human Resources (EHR).This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

这项未来制造研究补助金 (FMRG) Cyber​​Manufacturing 补助金支持开发与高质量二维 (2D) 纳米材料（如 MXene）按需、灵活制造相关的新知识的研究。多学科团队开发了经济且高产量工业规模生产 2D 碳化钛 MXene 薄片的基础科学。由于其优越的机械和电子性能，MXenes在电子、生物医学设备、传感器、催化剂、气体分离、水净化、导电涂料和智能织物等领域都有应用，每一个领域都有很大的市场规模，增强了美国制造业的竞争力、经济和国家安全。目前，MXene 在小型实验室规模下生产，质量参差不齐。这种质量不一致的原因是 MXene 生产对加工条件的高度敏感性、原材料质量的可变性以及对原子和分子级工艺的了解不足。本研究旨在了解这些过程，并利用这种理解来实现二维纳米材料的工业规模纳米制造。该项目涉及化学、化学工程、材料科学与工程、计算机科学等多个学科。该项目有助于扩大女性和代表性不足的少数群体对研究的参与，并对工程教育产生积极影响。该项目旨在解决纳米制造挑战，例如快速发现、设计和定制具有所需最终产品特性的二维纳米材料。这些挑战可以通过研究、开发、部署和测试创新的网络制造解决方案来解决。研究内容涉及纳米材料宏观和微观性质的实时过程监测和控制以及跟踪。研究了 Ti3AlC2 结构、缺陷和晶粒形态对所得 Ti3C2 MXene 模型系统性能的影响，以获得控制外在缺陷所需的知识，例如由于蚀刻和分层而导致的 Ti 空位、表面终止成分和插层物质。通过第一性原理计算和分子动力学模拟，从理论上研究了对 Ti3C2 的纳米和宏观性能至关重要的原子和分子级过程，并通过实验进行验证，以确定它们对缺陷、片状形态和最终产品的影响。功能特性。为了捕获纳米材料特性之间的定量关系，需要利用制造条件和无损表征（例如拉曼、SERS 和 STEM）。深度神经网络模型的开发、训练和部署是为了以现成的形式捕获和表示这些关系。技术经济分析和生命周期评估确保了预期的 MXene 生产纳米制造工业规模平台的经济可行性、安全性和可持续性。该项目得到了土木、机械和制造创新 (CMMI) 和工程教育中心 (EEC) 的共同资助) 工程 (ENG) 司、材料研究司 (DMR) 和化学 (CHE) 司、数学和物理科学司 (MPS) 司以及本科教育司(DUE) 隶属教育和人力资源理事会 (EHR)。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Fundamentals of MXene synthesis

MXene 合成基础知识

• DOI: 10.1038/s44160-022-00104-6
• 发表时间: 2022-08-01
• 期刊: Nature Synthesis
• 作者: K. G. Lim;M. Shekhirev;Brian C. Wyatt;B. Anasori;Y. Gogotsi;Z. Seh
• 通讯作者: Z. Seh

Ultra‐Flyweight Cryogels of MXene/Graphene Oxide for Electromagnetic Interference Shielding

用于电磁干扰屏蔽的超蝇重 MXene/氧化石墨烯冷冻凝胶

• DOI: 10.1002/adfm.202304748
• 发表时间: 2023-08-06
• 期刊: Advanced Functional Materials
• 影响因子: 19
• 作者: Ahmadreza Ghaffarkhah;S. Hashemi;S. Rostami;Majed Amini;Farhad Ahmadijokani;Ali Pournaghshb;Isfahani;S. Mhatre;Orl;o J. Rojas;o;M. Kamkar;S. Wuttke;M. Soroush;M. Arjm
• 通讯作者: M. Arjm

MXenes and Other Two-Dimensional Materials for Membrane Gas Separation: Progress, Challenges, and Potential of MXene-Based Membranes

用于膜气体分离的 MXene 和其他二维材料：MXene 基膜的进展、挑战和潜力

• DOI: 10.1021/acs.iecr.2c02042
• 发表时间: 2022-09
• 期刊: Industrial & Engineering Chemistry Research
• 影响因子: 4.2
• 作者: Isfahani, Ali Pournaghshband;Arabi Shamsabadi, Ahmad;Soroush, Masoud
• 通讯作者: Soroush, Masoud

The Evolution of MXenes Conductivity and Optical Properties Upon Heating in Air

MXene 在空气中加热时电导率和光学性质的演变

• DOI: 10.1002/smtd.202300568
• 发表时间: 2023-07
• 期刊: Small Methods
• 影响因子: 12.4
• 作者: Shamsabadi, Ahmad A.;Fang, Hui;Zhang, Danzhen;Thakur, Anupma;Chen, Cindy Y.;Zhang, Aixi;Wang, Haonan;Anasori, Babak;Soroush, Masoud;Gogotsi, Yury;et al
• 通讯作者: et al