The electronic structure and geometric structure of nanoclusters as catalytic active sites

2013 ◽  
Vol 2 (5) ◽  
pp. 515-528 ◽  
Author(s):  
Hao Li ◽  
Linsen Li ◽  
Yadong Li
Keyword(s):  
Electronic Structure ◽  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
Research Methods ◽  
Geometric Structure ◽  
Active Sites ◽  
Catalytic Effect ◽  
The Past ◽  
Catalytic Active Sites ◽  
Made In

AbstractIn the past few decades, metal nanoparticles applied in heterogeneous catalysis have attracted extensive attention. The term nanocatalysis is broadly referred to as the unique catalytic effect of this series of materials. Although considerable progress has been made in nanocatalysis, it still remains a great challenge to fully understand the nature of active sites in the nanoscale. Many concepts and models have been put forwarded to describe the properties and performances of nano- and subnanoparticles in catalysis. In this review, we propose our perspective on the active sites of heterogeneous catalysis from the aspects of electronic structure and geometric structure of nanoclusters and consider briefly how these clusters function in catalysis. The challenge in nanocatalysis research methods is also discussed.

scholarly journals Integration of surface science, nanoscience, and catalysis

2010 ◽  
Vol 83 (1) ◽  
pp. 243-252 ◽  
Author(s):  
Cun Wen ◽  
Yi Liu ◽  
Franklin Tao
Keyword(s):  
Heterogeneous Catalysis ◽  
Single Crystal ◽  
Surface Science ◽  
Active Sites ◽  
Liquid Interfaces ◽  
Design Studies ◽  
The Past ◽  
Catalytic Active Sites ◽  
Catalytic Mechanisms ◽  
Solid Liquid

This article briefly reviews the development of surface science and its close relevance to nanoscience and heterogeneous catalysis. The focus of this article is to highlight the importance of nanoscale surface science for understanding heterogeneous catalysis performing at solid–gas and solid–liquid interfaces. Surface science has built a foundation for the understanding of catalysis based on the studies of well-defined single-crystal catalysts in the past several decades. Studies of catalysis on well-defined nanoparticles (NPs) significantly promoted the understanding of catalytic mechanisms to an unprecedented level in the last decade. To understand reactions performed on catalytic active sites at nano or atomic scales and thus reach the goal of catalysis by design, studies of the surface of nanocatalysts are crucial. The challenges in such studies are discussed.

Methane Activation on Single-Atom Ir-doped Metal Nanoparticles from First-principles

2021 ◽  
Author(s):  
Yugang Ren ◽  
Xiaojing Liu ◽  
Zhaojun Zhang ◽  
Xiangjian Shen
Keyword(s):  
Electronic Structure ◽  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
First Principles ◽  
Methane Activation ◽  
Single Atom ◽  
Surface Electronic Structure

The breaking of the C-H bond of CH4 is of great importance and one of the most efficient strategies in heterogeneous catalysis is to alter surface electronic structure by doping...

Catalysis with Room Temperature Ionic Liquids Mediated Metal Nanoparticles

2016 ◽  
pp. 285-329
Author(s):  
Youquan Deng ◽  
Shimin Liu
Keyword(s):  
Ionic Liquids ◽  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
Room Temperature ◽  
Catalyst Preparation ◽  
Metal Particles ◽  
Room Temperature Ionic Liquids ◽  
The Past ◽  
Immobilized Catalyst ◽  
Fine Metal Particles

There has been still a growing interest in ionic liquids (ILs) for catalysis, in particular considering their tremendous success made over the past decades. Indeed, ILs for catalysis has been a main subject in chemistry and technology, and a rough estimate is that more than 6000 publications involving IL catalysis have been reported in the past fifteen years. Since there have been a large number of excellent reviews and books concerning the catalysis in ILs, in this chapter the authors mainly focus on the IL immobilized nano- or super-fine metal particles for catalysis, which could bridge or fill the gap between homogeneous and heterogeneous catalysis. Detailed IL-immobilized catalyst preparation, characterization and their application in hydrogenation, C-C coupling, oxidation, etc. will be discussed.

scholarly journals Graphene-Based Heterogeneous Catalysis: Role of Graphene

Catalysts ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 53 ◽  
Author(s):  
Kah Meng Yam ◽  
Na Guo ◽  
Zhuoling Jiang ◽  
Shulong Li ◽  
Chun Zhang
Keyword(s):  
Electronic Structure ◽  
Heterogeneous Catalysis ◽  
Active Sites ◽  
Vast Number ◽  
Catalytic Center ◽  
Vast Literature ◽  
Catalytic Applications ◽  
Systematic Understanding

Graphene, the reincarnation of a surface, offers new opportunities in catalytic applications, not only because of its peculiar electronic structure, but also because of the ease of modulating it. A vast number of proposals have been made to support this point, but there has been a lack of a systematic understanding of the different roles of graphene, as many other reviews published have focused on the synthesis and characterization of the various graphene-based catalysts. In this review, we surveyed the vast literature related to various theoretical proposals and experimental realizations of graphene-based catalysts to first classify and then elucidate the different roles played by graphene in solid-state heterogeneous catalysis. Owing to its one-atom thickness and zero bandgap with low density of states around Fermi level, graphene has great potential in catalysis applications. In general, graphene can function as a support for catalysts, a cover to protect catalysts, or the catalytic center itself. Understanding these functions is important in the design of catalysts in terms of how to optimize the electronic structure of the active sites for particular applications, a few case studies of which will be presented for each role.

One-step synthesis of cobalt-doped MoS2 nanosheets as bifunctional electrocatalysts for overall water splitting under both acidic and alkaline conditions

2018 ◽  
Vol 54 (31) ◽  
pp. 3859-3862 ◽  
Author(s):  
Qizhong Xiong ◽  
Xian Zhang ◽  
Haojie Wang ◽  
Guoqiang Liu ◽  
Guozhong Wang ◽  
...  
Keyword(s):  
Free Energy ◽  
Electronic Structure ◽  
Water Splitting ◽  
Active Sites ◽  
Hydrogen Adsorption ◽  
Mos2 Nanosheets ◽  
Adsorption Free Energy ◽  
Alkaline Conditions ◽  
One Step ◽  
Catalytic Active Sites

Cobalt covalent doping in MoS2 effectively regulates its electronic structure to decrease the hydrogen adsorption free energy for high HER and simultaneously contributes additional catalytic active sites for the OER.

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