Calorimetric Benchmark Energies of Adsorbed Intermediates, Solvent Effects and Solvent / Catalyst Bonding

吸附中间体的量热基准能量、溶剂效应和溶剂/催化剂键合

基本信息

  • 批准号:
    2004757
  • 负责人:
  • 金额:
    $ 45.32万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2020
  • 资助国家:
    美国
  • 起止时间:
    2020-05-15 至 2023-04-30
  • 项目状态:
    已结题

项目摘要

Better catalysts and electrocatalysts are essential for energy-efficient and environmentally benign manufacturing of fuels and chemicals, and for advanced processes to reduce carbon emissions and mitigate environmental pollutants. Optimizing catalysts for specific applications, however, requires detailed knowledge of reaction steps and the mechanisms by which the catalyst accelerates those steps. The project will generate data on the bonding strength of small molecules to catalytic metal surfaces, both in the presence and absence of solvents. The bonding strength can then be used to refine theoretical models of catalyst performance and accelerate the discovery and design of improved catalysts and catalytic processes.Specifically, the project will employ state-of-the-art calorimetric methods developed in the investigator’s laboratory to measure adsorption enthalpies of small molecules on single crystal surfaces, and estimate solvent effects that are relevant to various applications in heterogeneous catalysis and electrocatalysis. The project involves three main energy-measurement objectives: 1) adsorption of small molecular species on copper (Cu) single crystal surfaces, as a complement to the extensive work that has been done on earlier transition metal surfaces; 2) adhesion of condensed solvents on single crystal surfaces; and 3) adsorption of small molecular species in the presence of a co-adsorbed solvent. This work extends the investigator’s previous gas adsorption studies on platinum (Pt) and nickel (Ni) single-crystals to Cu single crystals, while furthering the Cu study to include solvent effects important in liquid-phase electrocatalytic reactions. The study will advance a database of experimental adsorption energies that can be used to calibrate ab initio models and their basis sets, thereby strengthening links between experimental and theoretical catalysis. The project is structured such that the investigator will provide in-depth training to both graduate and undergraduate students with respect to his unique calorimetric instrumentation and analysis tools. He will also collaborate with a young associate professor as part of a succession plan to ensure long-term contributions to the critical database of adsorption enthalpies already established in his laboratory.This award is co-funded by the Catalysis Program in the Division of Chemical, Bioengineering, Environmental, and Transport Systems and the Chemical Catalysis Program in the Division of Chemistry.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.
更好的催化剂和电催化剂对于燃料和化学品的节能和环保制造,以及减少碳排放和减轻环境污染物的先进工艺至关重要。然而,为特定应用优化催化剂,需要详细了解反应步骤和催化剂加速这些步骤的机制。该项目将生成小分子与催化金属表面结合强度的数据,无论是否存在溶剂。然后,结合强度可用于完善催化剂性能的理论模型,并加速改进催化剂和催化过程的发现和设计。具体来说,该项目将采用研究者实验室开发的最先进的量热法来测量单晶表面上小分子的吸附焓,并估计与多相催化和电催化的各种应用相关的溶剂效应。该项目涉及三个主要的能量测量目标:1)小分子物种在铜(Cu)单晶表面的吸附,作为对早期过渡金属表面所做的广泛工作的补充;2)凝聚溶剂在单晶表面的粘附;3)在共吸附溶剂存在下对小分子物种的吸附。这项工作将研究者之前对铂(Pt)和镍(Ni)单晶的气体吸附研究扩展到Cu单晶,同时进一步将Cu的研究纳入液相电催化反应中重要的溶剂效应。该研究将推进实验吸附能数据库,可用于校准从头算模型及其基础集,从而加强实验和理论催化之间的联系。这个项目的结构是这样的,研究者将为研究生和本科生提供深入的培训,关于他独特的量热仪器和分析工具。他还将与一位年轻的副教授合作,作为继任计划的一部分,以确保对他实验室已经建立的关键吸附焓数据库的长期贡献。该奖项由化学、生物工程、环境和运输系统部门的催化项目和化学部门的化学催化项目共同资助。该奖项反映了美国国家科学基金会的法定使命,并通过使用基金会的知识价值和更广泛的影响审查标准进行评估,被认为值得支持。

项目成果

期刊论文数量(5)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Adsorption and adhesion energies of n-Decane on the Pt(111) surface by calorimetry
量热法测定正癸烷在 Pt(111) 表面的吸附和粘附能
  • DOI:
    10.1016/j.susc.2022.122166
  • 发表时间:
    2022
  • 期刊:
  • 影响因子:
    1.9
  • 作者:
    Harman, S. Elizabeth;Ruehl, Griffin;Campbell, Charles T
  • 通讯作者:
    Campbell, Charles T
Acetonitrile Adsorption and Adhesion Energies onto the Pt(111) Surface by Calorimetry
通过量热法测定乙腈在 Pt(111) 表面上的吸附和粘附能
  • DOI:
    10.1021/acscatal.1c04622
  • 发表时间:
    2022
  • 期刊:
  • 影响因子:
    12.9
  • 作者:
    Ruehl, Griffin;Harman, S. Elizabeth;Árnadóttir, Líney;Campbell, Charles T.
  • 通讯作者:
    Campbell, Charles T.
Adhesion Energies of Liquid Hydrocarbon Solvents onto Pt(111), MgO(100), Graphene, and TiO 2 (110) from Temperature-Programmed Desorption Energies
液态烃溶剂在 Pt(111)、MgO(100)、石墨烯和 TiO 2 (110) 上的粘附能(来自程序升温解吸能)
  • DOI:
    10.1021/acs.jpcc.1c08949
  • 发表时间:
    2021
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Rumptz, John R.;Campbell, Charles T.
  • 通讯作者:
    Campbell, Charles T.
Effects of Solvents on Adsorption Energies: A General Bond-Additivity Model
溶剂对吸附能的影响:一般键加和模型
  • DOI:
    10.1021/acs.jpcc.1c06781
  • 发表时间:
    2021
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Akinola, James;Campbell, Charles T.;Singh, Nirala
  • 通讯作者:
    Singh, Nirala
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Charles Campbell其他文献

FIRST CASE ON BIVENTRICULAR MECHANICAL CIRCULATORY SUPPORT WITH IMPELLA CP AND IMPELLA RP FOR A PATIENT WITH ACUTE MYOCARDIAL INFARCTION INDUCED CARDIOGENIC SHOCK
  • DOI:
    10.1016/s0735-1097(17)35510-9
  • 发表时间:
    2017-03-21
  • 期刊:
  • 影响因子:
  • 作者:
    Xiangke Huang;Rehan Kahloon;Charles Campbell;Alison Bailey;Harish Manyam
  • 通讯作者:
    Harish Manyam
Second Year
第二年
  • DOI:
    10.7591/9781501728792-006
  • 发表时间:
    2019
  • 期刊:
  • 影响因子:
    0
  • 作者:
    Hang Liu;Chair Nader Namazi;Charles C. Nguyen;Lin;G. Nehmetallah;Hieu Bui;Matthew Jacobs;Minhee Jun;Charles Campbell;Vincent Cassella;Aysegul Cuhadar;Robert Kamocsai;Vadim Knyazev;Francis Linehan;Mohsen Marefat;Quang Nguyen;Sridava Rao;Kevin Russo;Hanney Shaban;J. S. Brown;Sen Nieh;Professors Emeriti;Mario Casarella;Yun Chow Whang;C. Bomela;Chuan;S. Picozzi
  • 通讯作者:
    S. Picozzi
Problemsourcing: Local Open Innovation for R&D Organizations
问题溯源:R 的本地开放创新
  • DOI:
    10.22215/timreview/665
  • 发表时间:
    2013
  • 期刊:
  • 影响因子:
    1.8
  • 作者:
    Sally Davenport;S. Cummings;U. Daellenbach;Charles Campbell
  • 通讯作者:
    Charles Campbell
Ultrasound Visualization of Aortic Dissection by Right Parasternal Scanning, Including Systolic Flutter of the Intimal Flap
  • DOI:
    10.1378/chest.80.2.239
  • 发表时间:
    1981-08-01
  • 期刊:
  • 影响因子:
  • 作者:
    Ivan A. D’Cruz;Mukesh Jain;Charles Campbell;Alberto N. Goldbarg
  • 通讯作者:
    Alberto N. Goldbarg
Publishing success of marketing academics: Antecedents and outcomes
营销学者出版的成功:前因与结果
  • DOI:
    10.1108/ejm-06-2013-0311
  • 发表时间:
    2015
  • 期刊:
  • 影响因子:
    4.4
  • 作者:
    J. Richard;G. Plimmer;K. Fam;Charles Campbell
  • 通讯作者:
    Charles Campbell

Charles Campbell的其他文献

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{{ truncateString('Charles Campbell', 18)}}的其他基金

SusChEM: Energies of Adsorbed Catalytic Intermediates on Transition Metal Surfaces: Experimental Benchmarks for Computational Catalysis Research
SusChEM:过渡金属表面吸附催化中间体的能量:计算催化研究的实验基准
  • 批准号:
    1665077
  • 财政年份:
    2017
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Continuing Grant
SusChEM: Energies of Adsorbed Catalytic Intermediates on Transition Metal Surfaces
SusChEM:过渡金属表面吸附的催化中间体的能量
  • 批准号:
    1361939
  • 财政年份:
    2014
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Standard Grant
Adsorption Energetics on Well-Defined Surfaces by Microcalorimetry
通过微量热法在明确表面上的吸附能量学
  • 批准号:
    1010287
  • 财政年份:
    2010
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Continuing Grant
Unifying Granular Flows
统一粒度流
  • 批准号:
    0828514
  • 财政年份:
    2008
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Standard Grant
Adsorption Energetics on Well-Defined Surfaces by Microcalorimetry
通过微量热法在明确表面上的吸附能量学
  • 批准号:
    0502177
  • 财政年份:
    2005
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Continuing Grant
ADSORPTION ENERGETICS ON WELL-DEFINED SURFACES BY MICROCALORIMETRY
通过微量热法测定明确表面上的吸附能量
  • 批准号:
    0138999
  • 财政年份:
    2002
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Continuing Grant
U.S.-Brazil: Influence of Support and Additives on Pd-BasedCatalysts for Emission Control
美国-巴西:载体和添加剂对用于排放控制的钯基催化剂的影响
  • 批准号:
    9724169
  • 财政年份:
    1998
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Standard Grant
Single Crystal Adsorption Microcalorimetry
单晶吸附微量热法
  • 批准号:
    9610493
  • 财政年份:
    1997
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Continuing Grant
Single Crystal Adsorption Microcalorimetry
单晶吸附微量热法
  • 批准号:
    9319234
  • 财政年份:
    1993
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Continuing Grant
Ensemble Effects in Catalytic Hydrocarbon Conversion Reactions on Pt(111)
Pt(111)催化烃转化反应中的系综效应
  • 批准号:
    9212379
  • 财政年份:
    1992
  • 资助金额:
    $ 45.32万
  • 项目类别:
    Standard Grant

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基于融合智能算法斜拉桥振动控制Benchmark问题的混合控制策略研究
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