A Theoretical Study of the Interaction of Hydrogen and Oxygen with Palladium or Gold Adsorbed on Pyridine-Like Nitrogen-Doped Graphene

ChemPhysChem ◽  
2014 ◽  
Vol 15 (18) ◽  
pp. 4042-4048 ◽  
Author(s):  
Eduardo Rangel ◽  
Luis Fernando Magana ◽  
Luis Enrique Sansores
Keyword(s):  
Theoretical Study ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Theoretical study of the adsorption of analgesic environmental pollutants on pristine and nitrogen-doped graphene nanosheets

2021 ◽  
Author(s):  
Richard H. Perry
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Theoretical Study ◽  
Graphene Nanosheets ◽  
Environmental Pollutants ◽  
Functional Theory ◽  
Nitrogen Doped ◽  
Gas Phases ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Interactions of analgesics with pristine and nitrogen-doped graphene nanosheets were explored using density functional theory in aqueous and gas phases.

scholarly journals Silicon-coordinated nitrogen-doped graphene as a promising metal-free catalyst for N2O reduction by CO: a theoretical study

RSC Advances ◽  
2018 ◽  
Vol 8 (40) ◽  
pp. 22322-22330 ◽  
Author(s):  
Anchalee Junkaew ◽  
Supawadee Namuangruk ◽  
Phornphimon Maitarad ◽  
Masahiro Ehara
Keyword(s):  
Co Oxidation ◽  
Theoretical Study ◽  
N2o Reduction ◽  
Nitrogen Doped ◽  
Metal Free ◽  
Mild Conditions ◽  
Mechanistic Insight ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Insight Into

Mechanistic insight into the N2O reduction and CO oxidation on SiN4G is reported in this theoretical study. The high reactive and selective SiN4 center leads this metal-free catalyst as a promising catalyst for this reaction under mild conditions.

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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