Theoretical insight into the single-atom catalytic mechanism of CeO2-supported Ag catalysts in CO oxidation

2019 ◽  
Vol 21 (36) ◽  
pp. 20346-20353 ◽  
Author(s):  
Yongli Shen ◽  
Kangjuan Yin ◽  
Zihui Xiao
Keyword(s):  
Synergistic Effect ◽  
Co Oxidation ◽  
Catalytic Mechanism ◽  
Single Atom ◽  
Theoretical Insight ◽  
Insight Into ◽  
Ag Catalysts

CO oxidation on Ag–CeO2 catalysts was promoted by the synergistic effect of Ag, lattice O and O vacancies, and it follows a single-atom catalytic mechanism.

scholarly journals Theoretical Insight into the Catalytic Mechanism of Enoyl-CoA Hydratase

2017 ◽  
Vol 75 (5) ◽  
pp. 494 ◽  
Author(s):  
Yu Zhang ◽  
Xinya Yang ◽  
Haiying Yu ◽  
Guangcai Ma
Keyword(s):  
Catalytic Mechanism ◽  
Theoretical Insight ◽  
Insight Into ◽  
Enoyl Coa Hydratase

scholarly journals Catalytic mechanism and bonding analyses of Au-Pd single atom alloy (SAA): CO oxidation reaction

2020 ◽  
Vol 63 (6) ◽  
pp. 993-1002 ◽  
Author(s):  
Sambath Baskaran ◽  
Cong-Qiao Xu ◽  
Yang-Gang Wang ◽  
Ignacio L. Garzón ◽  
Jun Li
Keyword(s):  
Co Oxidation ◽  
Oxidation Reaction ◽  
Catalytic Mechanism ◽  
Single Atom ◽  
Co Oxidation Reaction ◽  
Single Atom Alloy

Copper–oxygen Dynamics in Tyrosinase

2019 ◽  
Author(s):  
Nobutaka Fujieda ◽  
Sachiko Yanagisawa ◽  
Minoru Kubo ◽  
Genji Kurisu ◽  
Shinobu Itoh
Keyword(s):  
Catalytic Mechanism ◽  
Substrate Binding ◽  
Active Form ◽  
Copper Ion ◽  
Atomic Resolution ◽  
Oxygen Species ◽  
X Ray ◽  
Oxygen Dynamics ◽  
Insight Into ◽  
Copper Centre

To unveil the activation of dioxygen on the copper centre (Cu<sub>2</sub>O<sub>2</sub>core) of tyrosinase, we performed X-ray crystallograpy with active-form tyrosinase at near atomic resolution. This study provided a novel insight into the catalytic mechanism of the tyrosinase, including the rearrangement of copper-oxygen species as well as the intramolecular migration of copper ion induced by substrate-binding.<br>

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

Catalytic oxidation of dichloromethane over Pt-Co/HZSM-5 catalyst: Synergistic effect of single-atom Pt, Co3O4, and HZSM-5

2021 ◽  
Vol 288 ◽  
pp. 119980
Author(s):  
Yun Su ◽  
Kaixuan Fu ◽  
Yanfei Zheng ◽  
Na Ji ◽  
Chunfeng Song ◽  
...  
Keyword(s):  
Synergistic Effect ◽  
Catalytic Oxidation ◽  
Single Atom

Theoretical insight into the CdS/FAPbI3 heterostructure: a promising visible-light absorber

2021 ◽  
Author(s):  
Junli Chang ◽  
Liping Jiang ◽  
Guangzhao Wang ◽  
Yuhong Huang ◽  
Hong Chen
Keyword(s):  
Optical Absorption ◽  
Visible Light ◽  
Visible Light Range ◽  
Light Absorber ◽  
Absorption Performance ◽  
Theoretical Insight ◽  
Insight Into

The optical absorption performance of the perovskite FAPbI3 in the visible-light range is significantly improved by constructing a CdS/FAPbI3 heterostructure.

scholarly journals Theoretical Insight into the Reversal of Chemoselectivity in Diels-Alder Reactions of α,β-Unsaturated Aldehydes and Ketones Catalyzed by Brønsted and Lewis Acids

Organics ◽  
2021 ◽  
Vol 2 (1) ◽  
pp. 38-49
Author(s):  
Lakhdar Benhamed ◽  
Sidi Mohamed Mekelleche ◽  
Wafaa Benchouk
Keyword(s):  
Lewis Acids ◽  
Major Product ◽  
Diels Alder ◽  
Unsaturated Ketone ◽  
Unsaturated Aldehydes ◽  
Aldehydes And Ketones ◽  
Theoretical Insight ◽  
Insight Into ◽  
Good Agreement

Experimentally, a reversal of chemoselectivity has been observed in catalyzed Diels–Alder reactions of α,β-unsaturated aldehydes (e.g., (2E)-but-2-enal) and ketones (e.g., 2-hexen-4-one) with cyclopentadiene. Indeed, using the triflimidic Brønsted acid Tf2NH as catalyst, the reaction gave a Diels–Alder adduct derived from α,β-unsaturated ketone as a major product. On the other hand, the use of tris(pentafluorophenyl)borane B(C6F5)3 bulky Lewis acid as catalyst gave mainly the cycloadduct of α,β-unsaturated aldehyde as a major product. Our aim in the present work is to put in evidence the role of the catalyst in the reversal of the chemoselectivity of the catalyzed Diels–Alder reactions of (2E)-but-2-enal and 2-Hexen-4-one with cyclopentadiene. The calculations were performed at the ωB97XD/6-311G(d,p) level of theory and the solvent effects of dichloromethane were taken into account using the PCM solvation model. The obtained results are in good agreement with experimental outcomes.

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
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