Gas‐Phase Dehydrogenation of Alkanes: C−H Activation by a Graphene‐Supported Nickel Single‐Atom Catalyst Model

Borrome, Michael; Gronert, Scott

doi:10.1002/anie.201907487

Cited by 26 publications

(16 citation statements)

References 39 publications

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“…7 The conventional strategy is to synthesize novel heterogeneous catalysts via organic or inorganic reactions and to apply them in homogeneous organic reactions to achieve high catalytic performance. [8][9][10] This strategy has almost completely dominated the field of heterogeneous catalysis and has been successfully extended to the field of single-atom catalysis, [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27] which considerably improved the reaction results, such as yield, catalytic efficiency, chemo-, and regioselectivity. However, to date, single-atomsites (SASs) catalysts can only achieve some reactions that have been realized under homogeneous or heterogeneous catalysis, but their application in the development of more complex and selective new reactions has not been reported yet.…”

Section: Introductionmentioning

confidence: 99%

Porous Ligand Creates New Reaction Route: Bifunctional Single-Atom Palladium Catalyst for Selective Distannylation of Terminal Alkynes

Huang

Wang

et al. 2020

Chem

102

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We proposed a unique research concept of ''mechanism-oriented catalyst design'': The structural elements of single-atom catalyst are designed according to the requirements of organic synthesis mechanism. This concept is totally different from the previous ''electrocatalytic'' single-atom-site research concept. This work suggests that single-atom-site catalysts not only afford an efficient platform for transforming homogeneous reactions into heterogeneous reactions, but also possess many interesting potentials in developing new synthetic reactions and solving homogeneous reaction problems.

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Section: Introductionmentioning

confidence: 99%

Porous Ligand Creates New Reaction Route: Bifunctional Single-Atom Palladium Catalyst for Selective Distannylation of Terminal Alkynes

Huang

Wang

et al. 2020

Chem

102

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“…Borrome et al developed graphene supported Ni-SA catalyst for the C-H activation in the gas phase. [337] Different types of linear branched, and cyclic alkanes were used for the C-H activation and the catalyst was capable of second and third dehydrogenation which led to forming dienes and aromatics such as benzene. Recently, Wan et al also developed a perovskite-supported Pt-SA catalyst for CH 4 activation.…”

Section: Organic Transformationsmentioning

confidence: 99%

Single‐Atom Catalysts: A Sustainable Pathway for the Advanced Catalytic Applications

Singh

Sharma

Gaikwad

et al. 2021

Small

182

107

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In order to achieve these goals, it is of fundamental importance to design new catalysts that enable new benign routes to produce/ store and convert renewable energies and to obtain chemicals from waste. [3][4][5] We need to design new chemical pathways that replace traditional petrochemicalbased routes, considering new platform molecules, possibly derived by renewable resources such as agriculture/municipal wastes. This transition must fully involve the energy sector, with the entire redefinition of the pool of energy vectors for transportations, building heating systems, and power production. As the burning of fossil fuels and biomass are not anymore compatible with the dramatic increasing air pollution and global warming.To achieve all these targets, we will need to design nontoxic, earth-abundant, and less-expensive, highly efficient, and selective catalysts that can work under mild reaction conditions without producing significant waste. [6,7] Catalytic activity and selectivity are enabled via the many factors such as accessibility of active sites, interaction with the surface, i.e., varying support and coordinating sphere, composition of metals (bimetallic and many-metallic), size and shape; and chemical states of active sites which can to tailored via developing 2D catalyst [8][9][10] or via developing single atomic sites stabilized on hollow A heterogeneous catalyst is a backbone of modern sustainable green industries; and understanding the relationship between its structure and properties is the key for its advancement. Recently, many upscaling synthesis strategies for the development of a variety of respectable control atomically precise heterogeneous catalysts are reported and explored for various important applications in catalysis for energy and environmental remediation. Precise atomic-scale control of catalysts has allowed to significantly increase activity, selectivity, and in some cases stability. This approach has proved to be relevant in various energy and environmental related technologies such as fuel cell, chemical reactors for organic synthesis, and environmental remediation. Therefore, this review aims to critically analyze the recent progress on single-atom catalysts (SACs) application in oxygen reduction reaction, oxygen evolution reaction, hydrogen evolution reaction, and chemical and/or electrochemical organic transformations. Finally, opportunities that may open up in the future are summarized, along with suggesting new applications for possible exploitation of SACs.

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“…High catalytic activity and selectivity are the ultimate goals for designing SACs. Guided by DFT calculations, these catalytic properties for several reactions can be predicted, including widely studied reactions such as CO oxidation [30], water gas shift [34], selective hydrogenation [35], half reactions in the fuel cell [27], electrochemical nitrogen [14] and CO 2 reduction [36] and other reactions such as aromatic nitroreduction [37], alkane dehydrogenation [38], selective dehalogenation [39] and so on. We first introduce computational methods for the evaluation of the catalytic activity.…”

Section: Activitymentioning

confidence: 99%

Design of Single Atom Catalysts

Cheng

2021

Advances in Physics: X

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Over the past decade, computational modeling based on density functional theory (DFT) calculations provides a deep insight into the catalytic mechanism of single-atom catalysts (SACs) and paves way for high-throughput screening of promising SACs. This review summarizes computational methods for the analysis of the electronic structures and catalytic performance of SACs, as well as introduces the utilization of descriptors for the computational design of SACs. We expect that future advances in computational methods will surely help to identify highly effective SACs for a wide variety of reactions.

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Gas‐Phase Dehydrogenation of Alkanes: C−H Activation by a Graphene‐Supported Nickel Single‐Atom Catalyst Model

Cited by 26 publications

References 39 publications

Porous Ligand Creates New Reaction Route: Bifunctional Single-Atom Palladium Catalyst for Selective Distannylation of Terminal Alkynes

Porous Ligand Creates New Reaction Route: Bifunctional Single-Atom Palladium Catalyst for Selective Distannylation of Terminal Alkynes

Single‐Atom Catalysts: A Sustainable Pathway for the Advanced Catalytic Applications

Design of Single Atom Catalysts

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