scholarly journals Enabling Direct H2O2 Production in Acidic Media through Rational Design of Transition Metal Single Atom Catalyst

Chem ◽  
2020 ◽  
Vol 6 (3) ◽  
pp. 658-674 ◽  
Author(s):  
Jiajian Gao ◽  
Hong bin Yang ◽  
Xiang Huang ◽  
Sung-Fu Hung ◽  
Weizheng Cai ◽  
...  
2020 ◽  
Author(s):  
Jin-Cheng Liu ◽  
Hai Xiao ◽  
Xiao-Kun Zhao ◽  
Nan-Nan Zhang ◽  
Yuan Liu ◽  
...  

<p>While single-atom catalysts (SACs) have achieved great success in the past decade, their application is potentially limited by the simplistic single-atom active centers, which makes single-cluster catalysts (SCCs) a natural extension. SCCs with precise numbers of atoms and structural configurations possess SAC’s merits, yet have greater potentials for catalyzing complex reactions and/or bulky reactants. Through systematic quantum-chemical studies and computational screening, we report here the rational design of transition metal trimer clusters anchored on graphdiyne as a novel kind of stable SCCs with great potentials for efficient and precise heterogenous catalysis. By investigating their structures and catalytic performance for oxygen reduction reaction, hydrogen evolution reaction, and CO<sub>2</sub> reduction reactions, we provide theoretical guidelines for their potential applications as heterogeneous catalysts. These graphdiyne supported SCCs provide an ideal benchmark scaffold for rational design of precise catalysts for industrially important chemical reactions. </p>


2020 ◽  
Vol 8 (37) ◽  
pp. 19290-19299
Author(s):  
Lianping Wu ◽  
Tian Guo ◽  
Teng Li

With maximum atom-utilization efficiency, single atom catalysts (SACs) are surging as a new research frontier in catalysis science.


2020 ◽  
Vol 49 (19) ◽  
pp. 6884-6946 ◽  
Author(s):  
Federico Franco ◽  
Clara Rettenmaier ◽  
Hyo Sang Jeon ◽  
Beatriz Roldan Cuenya

An overview of the main strategies for the rational design of transition metal-based catalysts for the electrochemical conversion of CO2, ranging from molecular systems to single-atom and nanostructured catalysts.


2020 ◽  
Author(s):  
Jin-Cheng Liu ◽  
Hai Xiao ◽  
Xiao-Kun Zhao ◽  
Nan-Nan Zhang ◽  
Yuan Liu ◽  
...  

<p>While single-atom catalysts (SACs) have achieved great success in the past decade, their application is potentially limited by the simplistic single-atom active centers, which makes single-cluster catalysts (SCCs) a natural extension. SCCs with precise numbers of atoms and structural configurations possess SAC’s merits, yet have greater potentials for catalyzing complex reactions and/or bulky reactants. Through systematic quantum-chemical studies and computational screening, we report here the rational design of transition metal trimer clusters anchored on graphdiyne as a novel kind of stable SCCs with great potentials for efficient and precise heterogenous catalysis. By investigating their structures and catalytic performance for oxygen reduction reaction, hydrogen evolution reaction, and CO<sub>2</sub> reduction reactions, we provide theoretical guidelines for their potential applications as heterogeneous catalysts. These graphdiyne supported SCCs provide an ideal benchmark scaffold for rational design of precise catalysts for industrially important chemical reactions. </p>


Synlett ◽  
2021 ◽  
Author(s):  
Pingfan Li

AbstractThis Account discusses several new reaction methods developed in our group that utilize sulfur-mediated reactions through sulfonium salts and ylides, highlighting the interplay of rational design and serendipity. Our initial goal was to convert aliphatic C–H bonds into C–C bonds site-selectively, and without the use of transition-metal catalysts. While a proof-of-concept has been achieved, this target is far from being ideally realized. The unexpected discovery of an anti-Markovnikov rearrangement and subsequent studies on difunctionalization of alkynes were much more straightforward, and eventually led to the new possibility of asymmetric N–H insertion of sulfonium ylides through Brønsted acid catalysis.1 Introduction2 Allylic/Propargylic C–H Functionalization3 Anti-Markovnikov Rearrangement4 Difunctionalization of Alkynes5 Asymmetric N–H Insertion of Sulfonium Ylides6 Conclusion


Catalysts ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 452
Author(s):  
Michalis Konsolakis ◽  
Maria Lykaki

The rational design and fabrication of highly-active and cost-efficient catalytic materials constitutes the main research pillar in catalysis field. In this context, the fine-tuning of size and shape at the nanometer scale can exert an intense impact not only on the inherent reactivity of catalyst’s counterparts but also on their interfacial interactions; it can also opening up new horizons for the development of highly active and robust materials. The present critical review, focusing mainly on our recent advances on the topic, aims to highlight the pivotal role of shape engineering in catalysis, exemplified by noble metal-free, CeO2-based transition metal catalysts (TMs/CeO2). The underlying mechanism of facet-dependent reactivity is initially discussed. The main implications of ceria nanoparticles’ shape engineering (rods, cubes, and polyhedra) in catalysis are next discussed, on the ground of some of the most pertinent heterogeneous reactions, such as CO2 hydrogenation, CO oxidation, and N2O decomposition. It is clearly revealed that shape functionalization can remarkably affect the intrinsic features and in turn the reactivity of ceria nanoparticles. More importantly, by combining ceria nanoparticles (CeO2 NPs) of specific architecture with various transition metals (e.g., Cu, Fe, Co, and Ni) remarkably active multifunctional composites can be obtained due mainly to the synergistic metalceria interactions. From the practical point of view, novel catalyst formulations with similar or even superior reactivity to that of noble metals can be obtained by co-adjusting the shape and composition of mixed oxides, such as Cu/ceria nanorods for CO oxidation and Ni/ceria nanorods for CO2 hydrogenation. The conclusions derived could provide the design principles of earth-abundant metal oxide catalysts for various real-life environmental and energy applications.


2021 ◽  
Author(s):  
Jiawei Zhu ◽  
Shichun Mu

Owing to the advantage of atomic utilization, the single-atom catalyst has attracted much attention and been employed in multifarious catalytic reactions. Their definite site configuration is favorable for exploring the...


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