Collaborative Research: Integrated Design of Ultrahigh Surface Area Conductive Materials

合作研究：超高比表面积导电材料集成设计

• 批准号: 1634325
• 负责人: Kathy Lu
• 金额: $ 30.06万
• 依托单位: Virginia Polytechnic Institute and State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-07-15 至 2020-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1634325&HistoricalAwards=false
• 关键词: Collaborative; Research; Integrated; Design; Ultrahigh

Porous materials have great potential in a number of applications, but many challenges exist in the synthesis and manufacturing of high surface-area porous materials that can operate at high temperatures and conduct electricity. This award supports research aiming to integrate theory, experiment, and computational simulations to understand and enable a new class of high temperature stable and ultrahigh surface area porous materials known as silicon oxycarbides (SiOC). Such porous materials have exciting applications in catalysis, gas separation, sensing, electrodes, molecular sieves, thermal insulation, and micro-reactors. Their high thermal stability will enable new applications under harsh conditions where traditional materials have failed. The program integrates multi-layered education and outreach activities and will provide training to multiple graduate and undergraduate students, in materials experimental and simulation research and across two university campuses. This project is aimed at understanding the relationship between the composition and structure of SiOC materials, and the potential for synthesizing materials with high surface area, high temperature stability, and high electrical conductivity. The team will create nanosized pores and domains by tailoring polymer precursors, as well as tailoring crosslinking and pyrolysis conditions. By selective removal of phase-separated species, the approach will provide ultrahigh surface area and high temperature stable materials with 5 nm pores and much desired electrical conductivity. Multi-scale atomistic modeling (ab-initio and large-scale molecular dynamics) will couple to experiment and provide insight in bonding characteristics at interfaces between different phases, driving forces for phase segregation, the evolution of the graphitic substructure, as well as macroscopic properties governed at the nanoscale. A coarse-grain model will combine experimental and computational data and provide an unprecedented and unique platform to model and design the polymer-to-ceramic transformation and post-pyrolysis treatment. This research will establish a new paradigm in molecular design and processing of ultrahigh surface area, high temperature materials with electrical conductivity beyond SiOC, such as SiCN, SiOCN, SiBCN, SiOBC, SiAlCN, and SiAlOC.

多孔材料在许多应用中具有巨大的潜力，但是在高地面区域多孔材料的合成和制造中存在许多挑战，这些材料可以在高温下运行并进行电力。该奖项支持研究旨在整合理论，实验和计算模拟的研究，以理解和启用一类新的高温稳定和超高表面积的多孔材料，称为硅氧甲甲虫（SIOC）。材料在催化，气体分离，传感器，电极，分子筛，热绝缘和微反应器中具有令人兴奋的应用。它们的高热稳定性将在传统材料失败的HARMSH条件下实现新应用。该计划将多层教育和外展活动整合在一起，并将在材料实验和模拟研究以及两所大学校园中为多个研究生和本科生提供培训。该项目旨在了解SIOC材料的组成和结构之间的关系，以及具有高表面积，高温稳定性和高电导率的合成材料的潜力。该团队将通过调整聚合物前体以及调整交联和热解条件来创建纳米化的毛孔和域。通过选择性去除相分离的物种，该方法将提供超高的表面积和高温稳定的材料，孔具有5 nm孔，并且是理想的电导率。多尺度原子建模（AB-Initio和大规模分子动力学）将进行实验，并在不同阶段之间的接口，相位分离的驱动力，图形亚结构的演变，以及在Nansoscale管理的巨型特性。一个粗粒模型将结合实验和计算数据，并提供一个前所未有的独特平台，以建模和设计聚合物到陶瓷转化和热解治疗。这项研究将建立超高表面积的分子设计和处理，高温材料，具有SICN，SIOCN，SIBCN，SIOBC，SIOBC，SIALCN和SIALOC之外的高温材料的新范式。

项目成果

Additive and pyrolysis atmosphere effects on polysiloxane-derived porous SiOC ceramics

• DOI: 10.1016/j.jeurceramsoc.2017.06.036
• 发表时间: 2017-12-01
• 期刊: JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
• 影响因子: 5.7
• 作者: Erb, Donald;Lu, Kathy
• 通讯作者: Lu, Kathy

Nickel‐containing magnetoceramics from water vapor‐assisted pyrolysis of polysiloxane and nickel 2,4‐pentanedionate

• DOI: 10.1111/jace.16738
• 发表时间: 2019
• 期刊: Journal of the American Ceramic Society
• 影响因子: 3.9
• 作者: N. Yang;Min Gao;Jiefang Li;K. Lu

Influence of vinyl bonds from PDMS on the pore structure of polymer derived ceramics

• DOI: 10.1016/j.matchemphys.2018.01.078
• 发表时间: 2018-04-15
• 期刊: MATERIALS CHEMISTRY AND PHYSICS
• 影响因子: 4.6
• 作者: Erb, Donald;Lu, Kathy
• 通讯作者: Lu, Kathy

Synthesis of SiOC using solvent-modified polymer precursors

• DOI: 10.1016/j.matchemphys.2019.121844
• 发表时间: 2019-11-01
• 期刊: MATERIALS CHEMISTRY AND PHYSICS
• 影响因子: 4.6
• 作者: Erb, Donald;Lu, Kathy
• 通讯作者: Lu, Kathy

Phase development of silicon oxycarbide nanocomposites during flash pyrolysis

• DOI: 10.1007/s10853-019-03315-z
• 发表时间: 2019-04
• 期刊: Journal of Materials Science
• 影响因子: 4.5
• 作者: Lixia Wang;K. Lu