Exploring Electronic Effects in Selective Hydrogenation by (Ga,Sn)Pd2

探索 (Ga,Sn)Pd2 选择性氢化中的电子效应

• 批准号: 388507689
• 负责人: Professor Dr. Marc Armbrüster
• 金额: --
• 依托单位: Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2017
• 资助国家: 德国
• 起止时间: 2016-12-31 至 2021-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/388507689?language=en
• 关键词: Exploring; Electronic; Effects; Selective; Hydrogenation

This project aims to determine quantitatively the electronic effects on the semi-hydrogenation of acetylene as industrially relevant model reaction using the intermetallic model catalyst (Ga,Sn)Pd2, where the electronic structure can be fine-tuned by partial substitution of Ga by Sn without structural change.As industrial catalysts are highly complex materials composed of supporting material, active component and multiple promoters, they are unsuitable for studies aiming at understanding of the underlying principles of heterogeneous catalysis. Thus, the proposed study combines materials in an as-simple-as-possible state e.g. large single crystals, normal-pressure catalytic studies, surface science studies under ultra-high vacuum as well as quantum chemical calculations of the bulk and surface properties to explore the electronic effects in the semi-hydrogenation.

本项目旨在定量确定电子对乙炔半氢化反应的影响，作为工业上相关的模型反应，使用金属间模型催化剂（Ga,Sn）Pd2，其中电子结构可以通过Sn部分取代Ga而不改变结构来微调。由于工业催化剂是由支撑材料、活性组分和多种促进剂组成的高度复杂的材料，因此不适合用于旨在了解多相催化基本原理的研究。因此，本研究将材料在尽可能简单的状态下，如大单晶，常压催化研究，超高真空下的表面科学研究以及体积和表面性质的量子化学计算结合起来，探索半氢化过程中的电子效应。

项目成果

Single crystal growth of solid solutions from the Ga-Pd-Sn system for basic research in heterogeneous catalysis

Ga-Pd-Sn 体系固溶体的单晶生长，用于多相催化基础研究

• DOI: 10.1016/j.jcrysgro.2019.125401
• 发表时间: 2020
• 期刊: Journal of Crystal Growth
• 影响因子: 1.8
• 作者: K. Bader;A. Dorner;P. Gille
• 通讯作者: P. Gille

Disentangling Electronic and Geometric Effects in Electrocatalysis through Substitution in Isostructural Intermetallic Compounds.

• DOI: 10.1021/jacs.2c03348
• 发表时间: 2022-04
• 期刊: Journal of the American Chemical Society
• 影响因子: 15
• 作者: R. Zerdoumi;O. Matselko;L. Rößner;B. Sarkar;Y. Grin;M. Armbrüster

Fixed-bed reactor for catalytic studies on low-surface area materials.

用于低表面积材料催化研究的固定床反应器

• DOI: 10.1063/1.5064713
• 发表时间: 2019
• 期刊: The Review of scientific instruments
• 作者: D.C.A. Ivarsson;I.G. Aviziotis;T. Keilhauer;M. Armbrüster
• 通讯作者: M. Armbrüster

Revealing Electronic Influences in the Semihydrogenation of Acetylene

• DOI: 10.1021/acs.jpcc.8b05732
• 发表时间: 2018-09-27
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY C
• 影响因子: 3.7
• 作者: Matselko, Oksana;Zimmermann, Rene R.;Armbruester, Marc
• 通讯作者: Armbruester, Marc