Prediction and synthesis of metal oxide nanosheets and nanoscrolls

金属氧化物纳米片和纳米卷的预测与合成

基本信息

批准号：
1906030
负责人：
Arunima Singh
金额：
$ 39.14万
依托单位：
Arizona State University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2019
资助国家：
美国
起止时间：
2019-08-01 至 2023-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1906030&HistoricalAwards=false
关键词：
Prediction synthesis metal oxide nanosheets

项目摘要

Part 1: Non-Technical SummaryMetal oxide materials have many applications in electronic, chemical, and optical devices. Atomically thin materials in the form of nanosheets have further advantages due to their high surface areas and their remarkably different properties compared with their bulk counterparts. However, most metal oxides exist in bulk crystals that cannot easily be formed into nanosheets. In this project, supported by the Solid State and Materials Chemistry program in the Division of Materials Research, the research team develops a new plasma-based synthesis method to convert atomically thin metal sulfides and selenides into metal oxide nanosheets and nanoscrolls. Theory and data mining in materials databases are used to identify target materials and plasma conditions. Close integration of theory and experiment are used to determine the underlying mechanisms of the metal oxide conversion process and to establish the fundamental roles of material structures and plasma components for converting metal sulfides and selenides into metal oxides. This project will also enhance education and outreach efforts by the PI and co-PI to increase scientific engagement and participation from underrepresented groups through a range of activities aimed at the general public, high school students, undergraduate students, and graduate students.Part 2: Technical SummaryTwo-dimensional (2D) nanosheets offer advantages such as increased specific surface area, improved mass and charge transport, increased surface interactions, and processability into flexible thin films that can be useful in a wide range of applications. Among known 2D materials, the majority of them have layered three-dimensional (3D) bulk counterparts held together by weak van der Waals (vdW) forces. In contrast, many metal oxides do not have layered vdW bulk crystal forms so that 2D nanosheets cannot be formed from top-down exfoliation, while bottom-up growth methods require challenging development of synthesis procedures. Thus, there is a need to develop new synthesis methods for 2D metal oxides that are generalizable and cost-effective. In this project, supported by the Solid State and Materials Chemistry program in the Division of Materials Research, the research team establishes plasma-assisted conversion synthesis (PACS) as a powerful general approach to synthesize 2D metal oxide nanosheets and nanoscrolls by conversion from layered metal sulfides and selenides. Ab initio theory and data mining in materials databases are used to identify and predict new metal oxide materials that do not have layered 3D bulk counterparts, which will then be synthesized using the PACS process. This project develops a detailed fundamental understanding of how 2D metal oxides with no known layered vdW counterparts can be formed by plasma-assisted conversion from 2D metal sulfides and selenides. The underlying mechanisms of the oxidation and scrolling processes are elucidated through closely coupled theory and experiment to determine mechanistic details of the roles of point defects, grain boundaries, compositions, and reactive intermediates. The resulting metal oxide nanosheets and nanoscrolls have potential applications in electronic, magnetic, and electrochromic devices, photocatalysis, and chemical sensing. The software and computational tools developed in this project are widely applicable to other researchers in the field. The education and outreach efforts advance the PI and co-PI's goals in increasing participation from female students, first-generation and underrepresented groups via open house events for the general public, hands-on activities for high school students, and advanced research training experiences for undergraduate and graduate students.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.

第1部分：非技术摘要氧化物材料在电子，化学和光学设备中有许多应用。纳米片形式的原子较薄的材料由于其高表面积和与散装对应物相比具有明显不同的特性，因此具有进一步的优势。但是，大多数金属氧化物都存在于散装晶体中，这些晶体无法轻易形成纳米片。在该项目中，在材料研究部的固态和材料化学计划的支持下，研究团队开发了一种新的基于等离子体的合成方法，将原子稀薄的金属硫化物和硒化物转化为金属氧化物纳米片和纳米杂子。材料数据库中的理论和数据挖掘用于识别目标材料和血浆条件。理论和实验的紧密整合用于确定金属氧化物转化过程的潜在机制，并确定材料结构和等离子体成分的基本作用，用于将金属硫化物和硒代中转化为金属氧化物。该项目还将通过针对公众，高中生，本科生和研究生的一系列活动来增强PI和Co-Pi的教育和外展工作，以增加代表性群体不足的群体的科学参与和参与。第2部分：技术摘要：技术摘要效果（2d）nanosh的互动范围，可提高互动范围，并提高了范围的范围，并增强了范围的范围，并增加了范围的范围，并增加了范围的范围，并提高了范围的范围，并增加了范围的范围，并增加了范围的范围，并增加了范围的范围，并增加了范围的范围，并增加了范围的范围，并增加了范围的范围，并增加了范围的范围。这在广泛的应用中可能很有用。在已知的2D材料中，大多数材料都分层了由弱范德华（VDW）部队组合在一起的三维（3D）散装对应物。相比之下，许多金属氧化物没有分层的VDW散装晶体形式，因此不能通过自上而下的去角质形成2D纳米片，而自下而上的生长方法需要具有挑战性的合成程序开发。因此，有必要为可推广且具有成本效益的2D金属氧化物开发新的合成方法。在该项目中，在材料研究部的固态和材料化学计划的支持下，研究小组将血浆辅助转化合成（PACS）建立为合成2D金属氧化物纳米片和纳米骨的有力一般方法，并通过分层金属硫化物和苏利替尼的转换。从头算理论和材料数据库中的数据挖掘用于识别和预测未分层3D散装对应物的新金属氧化物材料，然后使用PACS工艺合成。该项目对如何通过从2D金属硫化物和硒化的等离子辅助转换来形成没有已知分层VDW对应物的2D金属氧化物的详细理解。通过紧密耦合的理论和实验来阐明氧化和滚动过程的基本机制，以确定点缺陷，晶界，组成和反应性中间体的作用的机械细节。所得的金属氧化物纳米片和纳米滚子在电子，磁性和电染色器设备，光催化和化学传感中具有潜在的应用。该项目中开发的软件和计算工具广泛适用于该领域的其他研究人员。教育和宣传工作推进了PI和Co-Pi的目标，即通过开放式公众活动，为公众举办的开放式活动，为高中生提供动手实践活动，以及针对本科生和研究生的高级研究培训经验，以反映NSF的法定任务，并反映出值得评估的人，这一奖项被认为是由宽广的授权者，这是对高中生和研究生的高级研究培训经验。

项目成果

期刊论文数量（19）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Exfoliation of boron carbide into ultrathin nanosheets

DOI：
10.1039/d0nr07971e
发表时间：
2021-01-21
期刊：
NANOSCALE
影响因子：
6.7
作者：
Guo, Yuqi;Gupta, Adway;Wang, Qing Hua
通讯作者：
Wang, Qing Hua

Exfoliation of Quasi-Two-Dimensional Nanosheets of Metal Diborides

DOI：
10.1021/acs.jpcc.1c00394
发表时间：
2021-03
期刊：
Journal of Physical Chemistry C
影响因子：
3.7
作者：
A. Yousaf;Matthew S. Gilliam;S. Chang;Mathias Augustin;Yuqi Guo;Fraaz Tahir;Meng Wang;A. Schwindt;Ximo S. Chu;Duo O. Li;S. Kale;Abhishek Debnath;Yongming Liu;M. Green;E. Santos;A. Green;Qing Hua Wang
通讯作者：
A. Yousaf;Matthew S. Gilliam;S. Chang;Mathias Augustin;Yuqi Guo;Fraaz Tahir;Meng Wang;A. Schwindt;Ximo S. Chu;Duo O. Li;S. Kale;Abhishek Debnath;Yongming Liu;M. Green;E. Santos;A. Green;Qing Hua Wang

Two-dimensional forms of robust CO2 reduction photocatalysts