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A DFT Study on Heterogeneous Pt/CeO2(110) Single Atom Catalysts for CO Oxidation
ChemCatChem
◽
10.1002/cctc.202100643
◽
2021
◽
Author(s):
Yan-Yang Qin
◽
Yaqiong Su
Keyword(s):
Co Oxidation
◽
Dft Study
◽
Single Atom
Download Full-text
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A DFT study and microkinetic analysis of CO oxidation to dimethyl oxalate over Pd stripe and Pd single atom-doped Cu(111) surfaces
Applied Surface Science
◽
10.1016/j.apsusc.2019.02.112
◽
2019
◽
Vol 479
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pp. 1057-1067
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Author(s):
Bingying Han
◽
Lixia Ling
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Co Oxidation
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Highly stable and Active Cu1 /CeO2 Single-Atom Catalyst for CO Oxidation: A DFT Study
ChemPhysChem
◽
10.1002/cphc.201800860
◽
2018
◽
Vol 19
(24)
◽
pp. 3346-3349
◽
Cited By ~ 13
Author(s):
Lan Qin
◽
Yun-Qi Cui
◽
Tao-Li Deng
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◽
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Keyword(s):
Co Oxidation
◽
Dft Study
◽
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Cu-doped phosphorene as highly efficient single atom catalyst for CO oxidation: A DFT study
Molecular Catalysis
◽
10.1016/j.mcat.2021.111630
◽
2021
◽
Vol 509
◽
pp. 111630
Author(s):
Muhammad Hamid Butt
◽
Syeda Huda Mehdi Zaidi
◽
Nabeela
◽
Ayesha Khan
◽
Khurshid Ayub
◽
...
Keyword(s):
Co Oxidation
◽
Dft Study
◽
Single Atom
◽
Highly Efficient
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A comparative DFT study on single-atom catalysis of CO oxidation over Al- and P-embedded hexagonal boron-nitride nanosheets
Journal of Molecular Graphics and Modelling
◽
10.1016/j.jmgm.2018.09.012
◽
2018
◽
Vol 85
◽
pp. 323-330
◽
Cited By ~ 6
Author(s):
Mehdi D. Esrafili
◽
Soheila Asadollahi
Keyword(s):
Boron Nitride
◽
Co Oxidation
◽
Hexagonal Boron Nitride
◽
Dft Study
◽
Single Atom
◽
Boron Nitride Nanosheets
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A DFT Study of Single-Atom Catalysis of CO Oxidation Using Carbon-Embedded Hexagonal Boron Nitride Monolayer
ChemistrySelect
◽
10.1002/slct.201801317
◽
2018
◽
Vol 3
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◽
pp. 7402-7409
◽
Cited By ~ 5
Author(s):
Mehdi D. Esrafili
◽
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Keyword(s):
Boron Nitride
◽
Co Oxidation
◽
Hexagonal Boron Nitride
◽
Dft Study
◽
Single Atom
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Single–atom manganese and nitrogen co-doped graphene as low-cost catalysts for the efficient CO oxidation at room temperature
Applied Surface Science
◽
10.1016/j.apsusc.2020.147809
◽
2021
◽
Vol 536
◽
pp. 147809
Author(s):
Mingming Luo
◽
Zhao Liang
◽
Chao Liu
◽
Xiaopeng Qi
◽
Mingwei Chen
◽
...
Keyword(s):
Co Oxidation
◽
Room Temperature
◽
Low Cost
◽
Single Atom
◽
Doped Graphene
◽
Co Doped
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Single-Atom Catalysts for Improved Cathode Performance in Na–S Batteries: A Density Functional Theory (DFT) Study
The Journal of Physical Chemistry C
◽
10.1021/acs.jpcc.1c00467
◽
2021
◽
Vol 125
(8)
◽
pp. 4458-4467
Author(s):
Rahul Jayan
◽
Md Mahbubul Islam
Keyword(s):
Density Functional Theory
◽
Density Functional
◽
Dft Study
◽
Single Atom
◽
Functional Theory
Download Full-text
High-Performance Single-Atom Catalysts for CO Oxidation: the Importance of Hydrogen Bonds and Adsorption Strength of the Reactant
The Journal of Physical Chemistry C
◽
10.1021/acs.jpcc.1c04351
◽
2021
◽
Author(s):
Rufang Zhao
◽
Yang Wang
Keyword(s):
Hydrogen Bonds
◽
Co Oxidation
◽
High Performance
◽
Single Atom
Download Full-text
Theoretical Insights into CO Oxidation over MOF-808-Encapsulated Single-Atom Metal Catalysts
The Journal of Physical Chemistry C
◽
10.1021/acs.jpcc.1c04906
◽
2021
◽
Author(s):
Wenjuan Xue
◽
Xiaohui Song
◽
Donghai Mei
Keyword(s):
Co Oxidation
◽
Metal Catalysts
◽
Single Atom
Download Full-text
Using the Interaction between Copper and Manganese to Stabilize Copper Single‐atom for CO Oxidation
Chemistry - A European Journal
◽
10.1002/chem.202100442
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2021
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Author(s):
Mingzhu Jiang
◽
Jing Chen
◽
Yanxia Gao
◽
Xuelong Lv
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Dongxu Yan
◽
...
Keyword(s):
Co Oxidation
◽
Single Atom
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