scholarly journals Влияние механического растяжения на адсорбционные свойства легированного азотом графена

2018 ◽  
Vol 60 (4) ◽  
pp. 816
Author(s):  
И.Ю. Долинский ◽  
К.П. Катин ◽  
К.С. Гришаков ◽  
В.С. Прудковский ◽  
Н.И. Каргин ◽  
...  
Keyword(s):  
Functional Groups ◽  
Atomic Hydrogen ◽  
Quantum Chemical ◽  
Epoxy Group ◽  
Chemical Modeling ◽  
Adsorption Activity ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Mechanical Stretching

AbstractThis paper presents the results of quantum chemical modeling of chemisorption of atomic hydrogen and epoxy, carboxyl, and hydroxyl functional groups on nitrogen-doped graphene. It is shown that the substitutional nitrogen atom does not bind to adsorbing groups directly, but significantly increases the adsorption activity of neighboring carbon atoms. Mechanical stretching of doped graphene reduces the adsorption energy of all the aforementioned radicals. This reduction is significantly greater for the epoxy group than for the other functional groups. The results obtained confirm that, upon a sufficient stretching of a nitrogen-doped graphene sheet, the dissociation of molecular hydrogen and oxygen with subsequent precipitation of the resulting radicals onto graphene can be energetically favorable.

scholarly journals Влияние азотного допирования и механического напряжения на адсорбционную способность графдиена

2019 ◽  
Vol 61 (2) ◽  
pp. 405
Author(s):  
И.Ю. Долинский ◽  
К.С. Гришаков ◽  
В.С. Прудковский
Keyword(s):  
Mechanical Stress ◽  
Adsorption Capacity ◽  
Atomic Hydrogen ◽  
Quantum Chemical ◽  
Adsorption Properties ◽  
Quantum Chemical Simulation ◽  
Nitrogen Doped ◽  
Chemical Simulation ◽  
Mechanical Stretching

AbstractThe quantum chemical simulation of adsorption of atomic hydrogen on pristine and nitrogen-doped graphdienes has been performed. The preferential sites, adsorption on which is most energetically beneficial, are indicated. The nitrogen presence is shown to substantially increase the adsorption capacity of the sheet. A capacity of the nitrogen-doped graphdiene to be reversibly stretched by 4% under action of external mechanical stress is demonstrated. A mechanical stretching is found to enable the control of the adsorption properties of pristine and also doped graphdienes.

Influence of Mechanical Stretching on Adsorption Properties of Nitrogen-Doped Graphene

2017 ◽  
Vol 60 (4) ◽  
pp. 821-825 ◽  
Author(s):  
I. Yu. Dolinskii ◽  
K. P. Katin ◽  
K. S. Grishakov ◽  
V. S. Prudkovskii ◽  
N. I. Kargin ◽  
...  
Keyword(s):  
Adsorption Properties ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Mechanical Stretching

Nonlinear optical effects in nitrogen-doped graphene

RSC Advances ◽  
2016 ◽  
Vol 6 (5) ◽  
pp. 3526-3531 ◽  
Author(s):  
Fang Zhang ◽  
Zhengping Wang ◽  
Duanliang Wang ◽  
Zhixin Wu ◽  
Shenglai Wang ◽  
...  
Keyword(s):  
Band Structure ◽  
Functional Groups ◽  
Nonlinear Optical ◽  
Light Field ◽  
Nitrogen Doped ◽  
Optical Effects ◽  
Nonlinear Optical Effects ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

The band structure of graphene can be adjusted by incorporating other elements or functional groups, correspondingly, the response to an external light field will also be changed.

Nitrogen-Doped Graphene Quantum Dots with Oxygen-Rich Functional Groups

2011 ◽  
Vol 134 (1) ◽  
pp. 15-18 ◽  
Author(s):  
Yan Li ◽  
Yang Zhao ◽  
Huhu Cheng ◽  
Yue Hu ◽  
Gaoquan Shi ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Functional Groups ◽  
Graphene Quantum Dots ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

scholarly journals Nitrogen-Doped Graphene Iron-Based Particle Electrode Outperforms Activated Carbon in Three-Dimensional Electrochemical Water Treatment Systems

Water ◽  
2020 ◽  
Vol 12 (11) ◽  
pp. 3121
Author(s):  
Hosna Ghanbarlou ◽  
Nikoline Loklindt Pedersen ◽  
Morten Enggrob Simonsen ◽  
Jens Muff
Keyword(s):  
Activated Carbon ◽  
Three Dimensional ◽  
Cell Voltage ◽  
Reduction Reaction ◽  
Process Data ◽  
Nitrogen Doped ◽  
Pesticide Removal ◽  
Optimal Value ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

The synergy between electrochemical oxidation and adsorption on particle electrodes was investigated in three-dimensional (3D) systems for p-nitrosodimethylaniline (RNO) decolorization and pesticide removal. A comparison was made between granular activated carbon (GAC) and a novel synthesized nitrogen-doped graphene-based particle electrode (NCPE). Experiments on RNO decolorization show that the synergy parameter of the 3D-NCPE system was improved 3000 times compared to the studied 3D-GAC system. This was due to the specific nanostructure and composition of the NCPE material. Nitrogen-doped graphene triggered an oxygen reduction reaction, producing hydrogen peroxide that simultaneously catalyzed on iron sites of the NCPEs to hydroxyl radicals following the electro-Fenton (EF) process. Data showed that in the experimental setup used for the study, the applied cell voltage required for the optimal value of the synergy parameter could be lowered to 5V in the 3D-NCPEs process, which is significantly better than the 15–20 V needed for synergy to be found in the 3D-GAC process. Compared to previous studies with 3D-GAC, the removal of pesticides 2,6 dichlorobenzamide (BAM), 2-methyl-4-chlorophenoxyaceticacid (MCPA), and methylchlorophenoxypropionic acid (MCPP) was also enhanced in the 3D-NCPE system.

scholarly journals CoMn phosphide encapsulated in nitrogen-doped graphene for electrocatalytic hydrogen evolution over a broad pH range

2021 ◽  
Author(s):  
Jingjing Liu ◽  
Wenyao Li ◽  
Zhe Cui ◽  
Jiaojiao Li ◽  
Fang Yang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Core Shell ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Ph Range ◽  
Excellent Stability

A core–shell CoMn-P@NG heterostructure electrode demonstrated impressive performance of hydrogen evolution over a broad pH range and maintained excellent stability.

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