Stability of Single-Atom Catalysts for Electrocatalysis

Journal of Materials Chemistry A ◽

10.1039/d1ta08582d ◽

2022 ◽

Author(s):

Hao Hu ◽

Jiale Wang ◽

Peng Tao ◽

Chengyi Song ◽

Wen Shang ◽

...

Keyword(s):

High Efficiency ◽

Single Atom ◽

Metal Atoms ◽

Significant Attention ◽

Electrocatalytic Reactions

Single-atom catalysts (SACs) have attracted significant attention in recent years for their maximum atomic utilization and high efficiency in a series of electrocatalytic reactions. However, the atomic-dispersed metal atoms have...

Download Full-text

Double Boosting Single Atom Fe-N4 Sites for High Efficiency O2 and CO2 Electroreduction

Carbon ◽

10.1016/j.carbon.2021.05.038 ◽

2021 ◽

Author(s):

Huijuan Yang ◽

Xingpu Wang ◽

ShengBao Wang ◽

Pengyang Zhang ◽

Chi Xiao ◽

...

Keyword(s):

High Efficiency ◽

Single Atom ◽

Co2 Electroreduction

Download Full-text

Activation of peroxymonosulfate by single-atom Fe-g-C3N4 catalysts for high efficiency degradation of tetracycline via nonradical pathways: Role of high-valent iron-oxo species and Fe–Nx sites

Chemical Engineering Journal ◽

10.1016/j.cej.2021.130803 ◽

2021 ◽

pp. 130803

Author(s):

Xiaoming Peng ◽

Jianqun Wu ◽

Zilong Zhao ◽

Xing Wang ◽

Hongling Dai ◽

...

Keyword(s):

High Efficiency ◽

Single Atom ◽

High Valent

Download Full-text

High-efficiency spin filtering in salophen-based molecular junctions modulated with different transition metal atoms

Physics Letters A ◽

10.1016/j.physleta.2014.09.015 ◽

2014 ◽

Vol 378 (42) ◽

pp. 3126-3130 ◽

Cited By ~ 10

Author(s):

Jun Peng ◽

Wu-Xing Zhou ◽

Ke-Qiu Chen

Keyword(s):

Transition Metal ◽

High Efficiency ◽

Molecular Junctions ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Spin Filtering

Download Full-text

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

Physical Chemistry Chemical Physics ◽

10.1039/d0cp06617f ◽

2021 ◽

Vol 23 (14) ◽

pp. 8784-8791

Author(s):

Qingling Meng ◽

Ling Zhang ◽

Jinge Wu ◽

Shuwei Zhai ◽

Xiamin Hao ◽

...

Keyword(s):

Nitrogen Fixation ◽

Transition Metal ◽

First Principles ◽

Reduction Reaction ◽

Single Atom ◽

Two Dimensional ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Catalytically Active ◽

Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

Download Full-text

Machine learning: The trends of developing high-efficiency single-atom materials

Chem Catalysis ◽

10.1016/j.checat.2021.04.005 ◽

2021 ◽

Vol 1 (1) ◽

pp. 24-26

Author(s):

Jiarui Yang ◽

Wen-Hao Li ◽

Dingsheng Wang

Keyword(s):

Machine Learning ◽

High Efficiency ◽

Single Atom

Download Full-text

First-Principles Investigations of Single Metal Atoms (Sc, Ti, V, Cr, Mn, and Ni) Embedded in Hexagonal Boron Nitride Nanosheets for the Catalysis of CO Oxidation

Condensed Matter ◽

10.3390/condmat4030065 ◽

2019 ◽

Vol 4 (3) ◽

pp. 65 ◽

Cited By ~ 6

Author(s):

Yi Liu ◽

Li-Ming Yang ◽

Eric Ganz

Keyword(s):

Co Oxidation ◽

First Principles ◽

Low Temperatures ◽

Hexagonal Boron Nitride ◽

Superior Performance ◽

Single Atom ◽

Boron Nitride Nanosheets ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Reaction Processes

We evaluated isolated transition metal atoms (Sc, Ti, V, Cr, Mn, and Ni) embedded in hexagonal-BN as novel single atom catalysts for CO oxidation. We predicted that embedded Ni atoms should have superior performance for this task. Ti, V, and Mn bind CO2 too strongly and so the reaction will not proceed smoothly. We studied the detailed reaction processes for Sc, Cr, and Ni. The Langmuir–Hinshelwood (LH), Eley–Rideal (ER), and the new termolecular Eley–Rideal (TER) processes for CO oxidation were investigated. Sc was not effective. Cr primarily used the ER process, although the barrier was relatively large at 1.30 eV. Ni was the best of the group, with a 0.44 eV barrier for LH, and a 0.47 eV barrier for TER. Therefore, we predicted that the LH and TER processes could operate at relatively low temperatures between 300 and 500 K.

Download Full-text