scholarly journals Reaction mechanisms at the homogeneous–heterogeneous frontier: insights from first-principles studies on ligand-decorated metal nanoparticles

2019 ◽  
Vol 9 (19) ◽  
pp. 5173-5185 ◽  
Author(s):  
Manuel A. Ortuño ◽  
Núria López
Keyword(s):  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
First Principles ◽  
Reaction Mechanisms

The frontiers between homogeneous and heterogeneous catalysis are progressively disappearing.

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...

scholarly journals Highly dispersed Pt atoms and clusters on hydroxylated indium tin oxide: A view from first-principles calculations

2021 ◽  
Author(s):  
Simran Kumari ◽  
Philippe Sautet
Keyword(s):  
Heterogeneous Catalysis ◽  
Metal Atom ◽  
Tin Oxide ◽  
Indium Tin Oxide ◽  
First Principles ◽  
Catalytic Performance ◽  
Small Cluster ◽  
Single Atom ◽  
First Principles Calculations ◽  
Highly Dispersed

Supported single-atom and small cluster catalysts have become highly popular in heterogeneous catalysis. These catalysts can maximize the metal atom utilization while still showcasing superior catalytic performance. One of the...

Electrophilicity in heterogeneous catalysis: Role of surface and sub-surface modification

2021 ◽  
Author(s):  
Anand S Burange ◽  
Awais Ahmad ◽  
Rafael Luque
Keyword(s):  
Surface Modification ◽  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
Organometallic Chemistry ◽  
Single Atom ◽  
Surface Organometallic Chemistry

Efforts to bridge the gap between homogeneous and heterogeneous catalysis include the use of surface organometallic chemistry, single atom catalysis and monodispersed metal nanoparticles, among others. In case of metal...

Metal nanoparticles: ligand free approach towards coupling reactions

2021 ◽  
Vol 01 ◽  
Author(s):  
Sharwari K. Mengane ◽  
Ronghui Wu ◽  
Liyun Ma ◽  
Chhaya S. Panse ◽  
Shailesh N. Vajekar ◽  
...  
Keyword(s):  
Heterogeneous Catalysis ◽  
Metal Nanoparticles ◽  
Surface Area ◽  
Heterogeneous Catalysts ◽  
High Surface ◽  
High Surface Area ◽  
Reaction Medium ◽  
Coupling Reactions ◽  
Research Activities ◽  
Ligand Free

: Catalysis is the multidisciplinary field involving many areas of chemistry, notably in organometallic chemistry and materials science. It has great applications in synthesis of many industrially applicable compounds such as fuels and fine chemicals. The activity and selectivity are a key issue in catalysis that generally allied to high surface area. The current research activities mainly deal with the homogeneous and heterogeneous catalysis. Homogeneous and heterogeneous catalysis have certain drawbacks which restricts their application to great extent but have their own advantages. Hence, it has a predominant concern of current research to find out an alternate to overcome their drawbacks. Therefore, it is highly desirable to find a catalytic protocol that offers high selectivity and excellent product yield with quick and easy recovery. Along with their various applications as alternatives to conventional bulk materials nanomaterial have established its great role in different industrial and scientific applications. Nanocatalysis has emerged as new alternative to the conventional homogeneous and heterogeneous catalysis. The nanomaterials are responsible to enhance surface area of the catalyst, which ultimately increases the catalyst reactants contacts. In addition, it acts as robust material and has high surface area like heterogeneous catalysts. Insolubility of such nanomaterial in reaction medium makes them easily separable, hence, catalyst can be easily separate from the product. Hence, it has been proven that nanocatalysts behave like homogeneous as well as heterogeneous catalysts which work as a bridge between the conventional catalytic systems. Considering these merits; researchers has paid their attention towards applications of nanocatalyst in several organic reactions. This review article focused on the catalytic applications of metal nanoparticles (MNPs) such as Pd, Ag, Au, Cu, Pt in ligand free coupling reactions. In addition, it covers applications of bimetallic and multimetallic nanoparticles in ligand free coupling reactions.

Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis

2014 ◽  
Vol 16 (29) ◽  
pp. 15029-15042 ◽  
Author(s):  
Jonathan E. Mueller ◽  
Petr Krtil ◽  
Ludwig A. Kibler ◽  
Timo Jacob
Keyword(s):  
Heterogeneous Catalysis ◽  
Reaction Mechanisms ◽  
Dynamic Surface ◽  
Structural Motifs ◽  
Bimetallic Alloys ◽  
Surface Morphologies

Multifarious structural motifs, dynamic surface morphologies and novel reaction mechanisms are essential aspects of bimetallic alloys, making them promising candidates for diverse applications in electrochemistry and heterogeneous catalysis.

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