| 项目编号: | 1653561
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| 项目名称: | CAREER: Developing Multi-Scale Models for the Effective Design of Hydrothermally Stable Single-Site Catalysts for Low-Temperature CO Emissions Removal |
| 作者: | Jean-Sabin McEwen
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| 承担单位: | Washington State University
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| 批准年: | 2017
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| 开始日期: | 2017-06-01
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| 结束日期: | 2022-05-31
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| 资助金额: | 512043
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| 资助来源: | US-NSF
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| 项目类别: | Standard Grant
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| 国家: | US
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| 语种: | 英语
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| 特色学科分类: | Engineering - Chemical, Bioengineering, Environmental, and Transport Systems
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| 英文关键词: | low-temperature
; real-world condition
; pure-precious-metal catalyst
; computational modeling tool
; multi-scale model
; low concentration
; stable automotive catalyst
; well-defined copper surface oxide support
; low-temperature exhaust catalyst
; low-temperature automotive exhaust catalysis
; comprehensive model
; computational method
; co oxidation
; new catalyst material
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| 英文摘要: | The project investigates the potential applicability of the emerging area of "single-site" catalysis to low-temperature automotive exhaust catalysis, thereby paving a path toward efficient and stable automotive catalysts comprised primarily of earth-abundant transition metals aided by low concentrations of atomically-dispersed noble metals such as platinum. The study will also yield improved computational methods for general predictions of single-site catalysis opportunities and limitations for a broad range of chemical processes based on supported catalysts. The research will be integrated both with experimental surface science and catalysis studies at Tufts and related educational and outreach programs targeting underrepresented groups (including American Indians) at the high school through graduate school levels.
A multi-scale model will be developed to predict the catalytic behavior of low-temperature exhaust catalysts in real-world conditions. The central hypothesis is that the chemical modification of a first-row transition metal oxide with an atomically dispersed precious metal will display theoretical efficiencies that are superior to pure-precious-metal catalysts, and that these high efficiencies will be connected to the support's ability to control the oxidation state of the atomically dispersed metal. To this end, a comprehensive model - developed from high quality characterization data obtained from other groups - will be used to predict exhaust-gas related reactions such as CO oxidation and the water-gas shift reaction, on atomically dispersed platinum with a well-defined copper surface oxide support. The educational and outreach objectives will demonstrate how computational modeling tools can be used in conjunction with experimental data to accelerate the discovery of new catalyst materials and structures. The PI will use a story-telling approach to explain automotive exhaust catalysis to high-school students in a way that excites them about higher education opportunities in STEM disciplines. |
| 资源类型: | 项目
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| 标识符: | http://119.78.100.158/handle/2HF3EXSE/90051
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| Appears in Collections: | 全球变化的国际研究计划
科学计划与规划
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| Recommended Citation: | |
Jean-Sabin McEwen. CAREER: Developing Multi-Scale Models for the Effective Design of Hydrothermally Stable Single-Site Catalysts for Low-Temperature CO Emissions Removal. 2017-01-01.
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