Synergetic effects of strain engineering and substrate defects on generating highly efficient single-atom catalysts for CO oxidation

Developing highly efficient single-atom catalysts (SACs) containing isolated metal atom monomers dispersed on appropriate substrates has surged to the forefront of heterogeneous catalysis in recent years.

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Strain Engineering of a Defect-Free, Single-Layer MoS2 Substrate for Highly Efficient Single-Atom Catalysis of CO Oxidation

ACS Applied Materials & Interfaces ◽

10.1021/acsami.9b06435 ◽

2019 ◽

Vol 11 (36) ◽

pp. 32887-32894 ◽

Cited By ~ 7

Author(s):

Yandi Zhu ◽

Ke Zhao ◽

Jinlei Shi ◽

Xiaoyan Ren ◽

Xingju Zhao ◽

...

Keyword(s):

Co Oxidation ◽

Single Layer ◽

Strain Engineering ◽

Single Atom ◽

Highly Efficient

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

Journal of Materials Chemistry A ◽

10.1039/d1ta03177e ◽

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...

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Pd1/BN as a promising single atom catalyst of CO oxidation: a dispersion-corrected density functional theory study

RSC Advances ◽

10.1039/c5ra14057a ◽

2015 ◽

Vol 5 (103) ◽

pp. 84381-84388 ◽

Cited By ~ 43

Author(s):

Zhansheng Lu ◽

Peng Lv ◽

Jie Xue ◽

Huanhuan Wang ◽

Yizhe Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Co Oxidation ◽

Metal Atom ◽

Density Functional ◽

Single Atom ◽

Two Dimensional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Atoms ◽

Two Dimensional Materials

Single metal atom catalysts exhibit extraordinary activity in a large number of reactions, and some two-dimensional materials (such as graphene and h-BN) are found to be prominent supports to stabilize single metal atoms.

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Highly Efficient Catalytic Properties of Sc and Fe Single Atoms Stabilized on Honeycomb Borophene/Al(111) heterostructure via a Dual Charge transfer effect

Nanoscale ◽

10.1039/d0nr08065a ◽

2021 ◽

Author(s):

Mengru Ren ◽

Lili Zhang ◽

Yan Di Zhu ◽

Jin Lei Shi ◽

Xing Ju Zhao ◽

...

Keyword(s):

Charge Transfer ◽

Heterogeneous Catalysis ◽

Catalytic Properties ◽

Transfer Effect ◽

Single Atom ◽

Single Atoms ◽

Highly Efficient ◽

Theoretical Design ◽

Metal Atoms

Theoretical design and experimental fabrication of highly efficient single-atom catalysts (SACs) containing isolated metal atoms monodispersed on appropriate substrates have surged to the forefront of heterogeneous catalysis in recent years....

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Single-metal-atom catalysts supported on graphdiyne catalyze CO oxidation

Dalton Transactions ◽

10.1039/d1dt00934f ◽

2021 ◽

Author(s):

Chunyan Sun ◽

Simin Huang ◽

Mengru Huang ◽

Xiangrui Zhang ◽

Shusheng Xu ◽

...

Keyword(s):

Density Functional Theory ◽

Co Oxidation ◽

Metal Atom ◽

Density Functional ◽

Van Der Waals ◽

Single Atom ◽

Oxidation Activity ◽

Functional Theory

CO oxidation by four M@GDY single-atom catalysts (M = Pt, Rh, Cu, and Ni) is studied by van der Waals density functional theory. The non-noble Cu@GDY exhibits a CO oxidation activity comparable to the noble Rh@GDY and Pt@GDY, while Ni@GDY does not.

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