Correlating DFT Calculations with CO Oxidation Reactivity on Ga-Doped Pt/CeO2 Single-Atom Catalysts

2018 ◽  
Vol 122 (39) ◽  
pp. 22460-22468 ◽  
Author(s):  
Yingxin Feng ◽  
Qiang Wan ◽  
Haifeng Xiong ◽  
Shulan Zhou ◽  
Xun Chen ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Co Oxidation ◽  
Single Atom ◽  
Oxidation Reactivity

Single–atom manganese and nitrogen co-doped graphene as low-cost catalysts for the efficient CO oxidation at room temperature

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

Using the Interaction between Copper and Manganese to Stabilize Copper Single‐atom for CO Oxidation

2021 ◽  
Author(s):  
Mingzhu Jiang ◽  
Jing Chen ◽  
Yanxia Gao ◽  
Xuelong Lv ◽  
Dongxu Yan ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Single Atom

Tailoring the Local Environment of Platinum in Single‐Atom Pt1/CeO2 Catalysts for Robust Low‐Temperature CO Oxidation

2021 ◽  
Author(s):  
Dong Jiang ◽  
Yonggang Yao ◽  
Tangyuan Li ◽  
Gang Wan ◽  
Xavier Isidro Pereira-Hernández ◽  
...  
Keyword(s):  
Low Temperature ◽  
Co Oxidation ◽  
Local Environment ◽  
Single Atom ◽  
Low Temperature Co Oxidation

CO oxidation on atomic nickel/phosphorene nanosheet: An efficient single-atom catalyst

2021 ◽  
Vol 510 ◽  
pp. 111626
Author(s):  
Donglin Li ◽  
Wenliang Li ◽  
Jingping Zhang
Keyword(s):  
Co Oxidation ◽  
Single Atom

The Pivotal Alkyne Group in the Mutual Size-Conversion of Au9 with Au10 Nanoclusters

2021 ◽  
Author(s):  
Xiaohang Wu ◽  
Ying Lv ◽  
Yuyuan Bai ◽  
Haizhu Yu ◽  
Manzhou Zhu
Keyword(s):  
Density Functional Theory ◽  
Theoretical Model ◽  
Dft Calculations ◽  
Density Functional ◽  
Single Atom ◽  
Functional Theory

Herein, density functional theory (DFT) calculations were performed to elucidate the mechanism of the reversible single atom size conversion between [Au10(DMPP)4(C6H11C≡C)]3+ and [Au9(DMPP)4]3+ (DMPP is 2,2’-bis-(dimethylphosphino)-1,1’-biphenyl, the simplified, theoretical model...

Al-Decorated C 24N 24 Fullerene: A Promising Single-Atom Catalyst for CO Oxidation

2021 ◽  
Author(s):  
Adnan Ali Khan ◽  
Mehdi D. Esrafili ◽  
Rashid Ahmad ◽  
Iftikhar Ahmad
Keyword(s):  
Co Oxidation ◽  
Single Atom

Al-decorated C24N24 fullerene: A robust single-atom catalyst for CO oxidation

Polyhedron ◽  
2021 ◽  
pp. 115497
Author(s):  
Adnan Ali Khan ◽  
Mehdi D. Esrafili ◽  
Rashid Ahmad ◽  
Iftikhar Ahmad
Keyword(s):  
Co Oxidation ◽  
Single Atom

A systematic theoretical study on FeOx-supported single-atom catalysts: M1/FeOx for CO oxidation

Nano Research ◽  
2018 ◽  
Vol 11 (3) ◽  
pp. 1599-1611 ◽  
Author(s):  
Jinxia Liang ◽  
Qi Yu ◽  
Xiaofeng Yang ◽  
Tao Zhang ◽  
Jun Li
Keyword(s):  
Co Oxidation ◽  
Theoretical Study ◽  
Single Atom
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