DMREF: Collaborative research: Data driven discovery of synthesis pathways and distinguishing electronic phenomena of 1D van der Waals bonded solids

DMREF：协作研究：数据驱动的合成途径发现和区分一维范德华键合固体的电子现象

基本信息

批准号：
1921958
负责人：
Alexander Balandin
金额：
$ 112万
依托单位：
University of California-Riverside
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2019
资助国家：
美国
起止时间：
2019-10-01 至 2024-09-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1921958&HistoricalAwards=false
关键词：
DMREF Collaborative research Data driven

项目摘要

Non-technical Description: This project explores a recently discovered class of more than 400 materials that form one-dimensional wires of bonded atoms surrounded by a tubular, two-dimensional van der Waals gap avoiding any strong atomic bonds between wires. A combination of predictive computational techniques, chemical preparation, and physical characterization will be employed to identify a spectrum of scientifically and technologically important properties of these materials with a focus on electrical transport properties, mechanical response and stability, and phase transformations. This project aims to leverage a spectrum of data mining, machine learning, and materials property calculation techniques to accelerate the identification of the most promising subset of these 400 materials for synthesis and testing. The PIs will train the next generation of scientists and engineers by providing interdisciplinary research opportunities for undergraduate and graduate students with attention given to attracting those from underrepresented groups. Emphasis will be placed on training with respect to computationally-led and data-drive approaches to materials research. Specifically, undergraduate students will develop Java-based software for materials science and graduate students will host a podcast aimed at disseminating developments in data-driven computational science.Technical Description: Bulk crystals of graphite and other materials composed of 2-dimensional van der Waals (vdW) layers exhibit numerous important properties in the bulk that are preserved as the material is thinned to atomic thickness, e.g. the high electrical conductivity of graphene. This distinguishes them from native bulk materials that do not exhibit such vdW layered structure, such as copper, whose properties change dramatically as it is thinned below a few atomic layers. Unlike 2D layered materials, the 1-dimensional vdW materials of this project have received relatively little research attention, but are likely to exhibit many of the useful properties of their 2D counterparts. One hypothesis is that the presence of vdW gaps and the absence of dangling bonds and large single crystal domains inhibits carrier scattering at the surface of such materials and, thus, allows for electronic transport at a resistivity almost independent of wire cross section. Recent synthesis work by the project participants has revealed excellent transport properties of such materials when thinned to nanoscale cross sections, rivaling the favorable characteristics of the native bulk form of copper, with potential applications in the miniaturization of electronic devices. Another hypothesis is that these materials may be more likely to exhibit electronic or structural phase changes that can be engineered for low power electronic memories and other applications.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.

非技术描述：该项目探索了最近发现的一类超过400种材料，它们形成了一维电线的键合原子，这些原子被管状的二维范德华缝隙包围，避免了电线之间的任何强原子键。预测计算技术，化学制备和物理表征的结合将用于确定这些材料的科学和技术上重要的特性，重点是电运输特性，机械响应和稳定性以及相变。该项目旨在利用一系列数据挖掘，机器学习和材料属性计算技术，以加速识别这400个材料中最有希望的子集进行合成和测试。 PI将通过为本科和研究生提供跨学科的研究机会来培训下一代科学家和工程师，并关注吸引人数不足的群体的研究机会。将重点放在计算主导的材料研究和数据驱动方法方面的培训。 Specifically, undergraduate students will develop Java-based software for materials science and graduate students will host a podcast aimed at disseminating developments in data-driven computational science.Technical Description: Bulk crystals of graphite and other materials composed of 2-dimensional van der Waals (vdW) layers exhibit numerous important properties in the bulk that are preserved as the material is thinned to atomic thickness, e.g.石墨烯的高电导率。这将它们与没有表现出这种VDW分层结构的天然体积材料（例如铜）区分开来，铜的特性会发生巨大变化，因为它在几个原子层以下被稀释。与2D层次的材料不同，该项目的一维VDW材料受到相对较少的研究关注，但很可能表现出其2D对应物的许多有用属性。一个假设是，VDW间隙的存在以及不存在悬挂键和大型单晶结构域抑制了此类材料表面的载体散射，因此可以在几乎与电线横截面无关的电阻率下进行电子传输。该项目参与者的最新合成工作揭示了这种材料对纳米级横截面的出色运输特性，这与铜的天然体积形式的有利特征与铜的有利特征媲美，并在电子设备的微型化中具有潜在的应用。另一个假设是，这些材料可能更有可能表现出可以针对低功率电子记忆和其他应用进行设计的电子或结构相变。该奖项反映了NSF的法定任务，并且认为值得通过基金会的智力优点和更广泛的影响审查标准通过评估来获得支持。

项目成果

期刊论文数量（10）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

One-dimensional van der Waals quantum materials

DOI：
10.1016/j.mattod.2022.03.015
发表时间：
2022-05-01
期刊：
MATERIALS TODAY
影响因子：
24.2
作者：
Balandin, Alexander A.;Kargar, Fariborz;Lake, Roger K.
通讯作者：
Lake, Roger K.

Quantum Composites with Charge‐Density‐Wave Fillers

具有电荷密度波填充物的量子复合材料

DOI：
10.1002/adma.202209708
发表时间：
2023
期刊：
Advanced Materials
影响因子：
29.4
作者：
Barani, Zahra;Geremew, Tekwam;Stokey, Megan;Sesing, Nicholas;Taheri, Maedeh;Hilfiker, Matthew J.;Kargar, Fariborz;Schubert, Mathias;Salguero, Tina T.;Balandin, Alexander A.
通讯作者：
Balandin, Alexander A.

Raman Spectroscopy of Quasi-One-Dimensional NbTe Weyl Semimetal Nanowires

准一维 NbTe Weyl 半金属纳米线的拉曼光谱