Generalized Reaction Mechanism for the Selective Aerobic Oxidation of Aryl and Alkyl Alcohols over Nitrogen-Doped Graphene

2015 ◽  
Vol 119 (47) ◽  
pp. 26438-26450 ◽  
Author(s):  
Vijaya Sundar Jeyaraj ◽  
M. Kamaraj ◽  
V. Subramanian
Keyword(s):  
Reaction Mechanism ◽  
Aerobic Oxidation ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Selective Aerobic Oxidation

Aqueous aerobic oxidation of alkyl arenes and alcohols catalyzed by copper(ii) phthalocyanine supported on three-dimensional nitrogen-doped graphene at room temperature

2014 ◽  
Vol 50 (58) ◽  
pp. 7855-7857 ◽  
Author(s):  
Mojtaba Mahyari ◽  
Mohammad Sadegh Laeini ◽  
Ahmad Shaabani
Keyword(s):  
Room Temperature ◽  
Aerobic Oxidation ◽  
Three Dimensional ◽  
Bifunctional Catalyst ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Selective Aerobic Oxidation

Copper(ii) tetrasulfophthalocyanine supported on three-dimensional nitrogen-doped graphene-based frameworks was synthesized and introduced as a bifunctional catalyst for selective aerobic oxidation of alkyl arenes and alcohols.

scholarly journals Oxygen Reduction Reaction Mechanism of Nitrogen-Doped Graphene Derived from Ionic Liquid

2017 ◽  
Vol 142 ◽  
pp. 1319-1326 ◽  
Author(s):  
Yiyi She ◽  
Jinfan Chen ◽  
Chengxu Zhang ◽  
Zhouguang Lu ◽  
Meng Ni ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Reaction Mechanism ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Aerobic selective oxidation of 5-hydroxymethyl-furfural over nitrogen-doped graphene materials with 2,2,6,6-tetramethylpiperidin-oxyl as co-catalyst

2016 ◽  
Vol 6 (7) ◽  
pp. 2377-2386 ◽  
Author(s):  
Guangqiang Lv ◽  
Hongliang Wang ◽  
Yongxing Yang ◽  
Xiao Li ◽  
Tiansheng Deng ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Thermal Treatment ◽  
Selective Oxidation ◽  
Aerobic Oxidation ◽  
Catalytic Performance ◽  
Co Catalyst ◽  
Nitrogen Doped ◽  
Hydroxymethyl Furfural ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

N-doped graphene materials were prepared via thermal treatment of graphene oxide in flowing NH3, and their catalytic performance was tested in aerobic oxidation of 5-hydroxymethy-furfural.

Probing the effect of different graphitic nitrogen sites on the aerobic oxidation of thiols to disulfides: a DFT study

2018 ◽  
Vol 20 (3) ◽  
pp. 2057-2065 ◽  
Author(s):  
J. Vijaya Sundar ◽  
M. Kamaraj ◽  
V. Subramanian
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Aerobic Oxidation ◽  
Dft Study ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

An attempt has been made to investigate the possibility of utilizing nitrogen doped graphene for the aerobic oxidation of thiols to disulfides using density functional theory.

scholarly journals Density functional theory study of active sites on nitrogen-doped graphene for oxygen reduction reaction

2021 ◽  
Vol 8 (9) ◽  
pp. 210272
Author(s):  
Ping Yan ◽  
Song Shu ◽  
Longhua Zou ◽  
Yongjun Liu ◽  
Jianjun Li ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Reaction Mechanism ◽  
Active Sites ◽  
Density Functional ◽  
Reduction Reaction ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Orr Activity

Oxygen reduction reaction (ORR) remains challenging due to its complexity and slow kinetics. In particular, Pt-based catalysts which possess outstanding ORR activity are limited in application with high cost and ease of poisoning. In recent years, nitrogen-doped graphene has been widely studied as a potential ORR catalyst for replacing Pt. However, the vague understanding of the reaction mechanism and active sites limits the potential ORR activity of nitrogen-doped graphene materials. Herein, density functional theory is used to study the reaction mechanism and active sites of nitrogen-doped graphene for ORR at the atomic level, focusing on explaining the important role of nitrogen species on ORR. The results reveal that graphitic N (GrN) doping is beneficial to improve the ORR performance of graphene, and dual-GrN-doped graphene can demonstrate the highest catalytic properties with the lowest barriers of ORR. These results provide a theoretical guide for designing catalysts with ideal ORR property, which puts forward a new approach to conceive brilliant catalysts related to energy conversion and environmental catalysis.

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