Computational Investigation of the Chemical Modification of Polymers and Organic Thin Films by Particle Deposition
通过颗粒沉积对聚合物和有机薄膜进行化学改性的计算研究
基本信息
- 批准号:0809376
- 负责人:
- 金额:$ 41.94万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:2008
- 资助国家:美国
- 起止时间:2008-08-01 至 2013-07-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
Susan Sinnott of the University of Florida is supported by an award from the Theoretical and Computational Chemistry program for the development of computational methods for the simulation of particle-surface reactions in polymers and organic thin films. The work is identifying the atomic-level processes involved in the chemical modification of polymers by polyatomic ions and radicals and is investigating the selective modification of oligomers with optoelectronic properties through the deposition of ions and radicals at hyperthermal incident energies. Particle-surface deposition occurs over a wide range of incident energies and is used for a variety of industrially vital applications, including thin-film growth, doping, sputtering, etching, chemical modification and creation of new interfacial stuctures. The work is having a broader impact through the development of computational tools that will be freely disseminated through the PI's website and via the nanoHUB (www.nanohub.org), an NSF-supported cyberinfrastructure. It is having a further broader impact through the training and mentoring of students, including several undergraduates, some of whom are members of under-represented minority groups. Some of the students involved are working with Nedialka Iordanova through a subaward to Georgia Southwestern State University.
佛罗里达大学的Susan Sinnott获得了理论和计算化学计划的奖项,用于模拟聚合物和有机薄膜中颗粒表面反应的计算方法的发展。 这项工作正在确定多原子离子和自由基对聚合物进行化学改性所涉及的原子级过程,并正在研究通过在超热入射能量下沉积离子和自由基对具有光电性质的低聚物进行选择性改性。粒子表面沉积发生在很宽的入射能量范围内,并用于各种工业上重要的应用,包括薄膜生长,掺杂,溅射,蚀刻,化学改性和创建新的界面结构。 这项工作正在通过开发计算工具产生更广泛的影响,这些工具将通过PI的网站和nanoHUB(www.nanohub.org)免费传播,nanoHUB是一个由NSF支持的网络基础设施。 通过培训和指导学生,包括几名本科生,其中一些是代表性不足的少数群体成员,它正在产生更广泛的影响。 一些参与的学生正在通过一个分奖项与内迪亚卡Iordanova格鲁吉亚西南州立大学。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Susan Sinnott其他文献
Multiscale computational understanding and growth of 2D materials: a review
二维材料的多尺度计算理解与生长:综述
- DOI:
10.1038/s41524-020-0280-2 - 发表时间:
2020-03-19 - 期刊:
- 影响因子:11.900
- 作者:
Kasra Momeni;Yanzhou Ji;Yuanxi Wang;Shiddartha Paul;Sara Neshani;Dundar E. Yilmaz;Yun Kyung Shin;Difan Zhang;Jin-Wu Jiang;Harold S. Park;Susan Sinnott;Adri van Duin;Vincent Crespi;Long-Qing Chen - 通讯作者:
Long-Qing Chen
Susan Sinnott的其他文献
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{{ truncateString('Susan Sinnott', 18)}}的其他基金
The Enrollment Floodgates Are Open - Best Practices in Materials Science and Engineering Undergraduate Education for Rising Enrollments, September 9-11, 2019
招生闸门已打开 - 材料科学与工程本科教育最佳实践,招生人数不断增加,2019 年 9 月 9 日至 11 日
- 批准号:
1842175 - 财政年份:2018
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
Collaborative Research - CDMR: Informatics Guided Data Driven Computational Design of Multifunctional Materials
协作研究 - CDMR:信息学引导的数据驱动的多功能材料计算设计
- 批准号:
1556783 - 财政年份:2015
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
Collaborative Research: Multiscale atomistic modeling tools for electrocatalytic systems
合作研究:电催化系统的多尺度原子建模工具
- 批准号:
1556811 - 财政年份:2015
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
Collaborative Research: Multiscale atomistic modeling tools for electrocatalytic systems
合作研究:电催化系统的多尺度原子建模工具
- 批准号:
1264104 - 财政年份:2013
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
Collaborative Research - CDMR: Informatics Guided Data Driven Computational Design of Multifunctional Materials
协作研究 - CDMR:信息学引导的数据驱动的多功能材料计算设计
- 批准号:
1307840 - 财政年份:2013
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
EAGER: Cyberinfrastructure for Atomistic Materials Science (CAMS)
EAGER:原子材料科学 (CAMS) 的网络基础设施
- 批准号:
1246173 - 财政年份:2012
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
Symposium on Tribology: Understanding Friction, Lubrication and Wear Across the Scales; Freiburg im Breisgau, Germany; October 4-8, 2010
摩擦学研讨会:了解各种尺度的摩擦、润滑和磨损;
- 批准号:
1016238 - 财政年份:2010
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
Atomic-scale Friction Research and Education Synergy Hub (AFRESH)
原子尺度摩擦研究和教育协同中心 (AFRESH)
- 批准号:
0742580 - 财政年份:2007
- 资助金额:
$ 41.94万 - 项目类别:
Continuing Grant
U.S.-Japan Cooperative Science: Computational Study of Chemical Reactions and Material Modification during Polyatomic-Ion and Cluster-Surface Deposition
美日合作科学:多原子离子和簇表面沉积过程中化学反应和材料改性的计算研究
- 批准号:
0406491 - 财政年份:2004
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
Computational Study of Chemical Reactions and Material Modification during Polyatomic-Ion and Cluster-Surface Deposition
多原子离子和簇表面沉积过程中化学反应和材料改性的计算研究
- 批准号:
0200838 - 财政年份:2002
- 资助金额:
$ 41.94万 - 项目类别:
Standard Grant
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