Metal-Doped Graphene Materials as Electrocatalysts in Sensors

2022 ◽  
pp. 114-129
Keyword(s):  
Doped Graphene ◽  
Metal Doped

scholarly journals Mass production of metal-doped graphene from the agriculture waste of Quercus ilex leaves for supercapacitors: inclusive DFT study

RSC Advances ◽  
2021 ◽  
Vol 11 (18) ◽  
pp. 10891-10901
Author(s):  
Gaurav Tatrari ◽  
Chetna Tewari ◽  
Manoj Karakoti ◽  
Mayank Pathak ◽  
Ritu Jangra ◽  
...  
Keyword(s):  
Effective Mass ◽  
Mass Production ◽  
Quercus Ilex ◽  
Cost Effective ◽  
Mass Scale ◽  
Graphene Sheets ◽  
Agriculture Waste ◽  
Doped Graphene ◽  
Metal Doped ◽  
Supercapacitor Applications

This work reports a facile, eco-friendly, and cost-effective mass-scale synthesis of metal-doped graphene sheets (MDGs) using agriculture waste of Quercus ilex leaves for supercapacitor applications.

The adsorption of nitrogen oxides on noble metal-doped graphene: The first-principles study

2019 ◽  
Vol 33 (04) ◽  
pp. 1950044 ◽  
Author(s):  
X. Jia ◽  
L. An
Keyword(s):  
Gas Sensors ◽  
First Principles ◽  
Density Functional ◽  
Noble Metals ◽  
Functional Theory ◽  
Adsorption Effect ◽  
Charge Densities ◽  
Adsorption Of Nitrogen ◽  
Doped Graphene ◽  
Metal Doped

The first-principles method based on density functional theory has been used to investigate the adsorption performance of NO/NO2 molecules on intrinsic, Ag-doped, Pt-doped and Au-doped graphene. Results show that graphene doped with Ag/Pt/Au has shorter final adsorption distance, larger adsorption energy and charge transfer amount with NO/NO2 molecules than intrinsic graphene, and the charge densities of doped graphene and NO/NO2 molecules overlap effectively. Therefore, doping graphene with noble metals can greatly enhance the adsorption between graphene and NO/NO2 molecules. Analysis also reveals that Au-doped graphene has the strongest adsorption effect on NO/NO2 molecules, followed by Ag-doped graphene, while Pt-doped graphene has the weakest role on the adsorption of NO/NO2 molecules. The work conducted in this research provides a theoretical guidance for the application of NO/NO2 gas sensors based on graphene.

scholarly journals Kinetics of atomic ordering in metal-doped graphene

2010 ◽  
Vol 12 (2) ◽  
pp. 204-209 ◽  
Author(s):  
Taras M. Radchenko ◽  
Valentyn A. Tatarenko
Keyword(s):  
Atomic Ordering ◽  
Doped Graphene ◽  
Metal Doped ◽  
Kinetics Of

Adsorption of molecular oxygen on VIIIB transition metal-doped graphene: A DFT study

2014 ◽  
Vol 28 (30) ◽  
pp. 1450237 ◽  
Author(s):  
F. Nasehnia ◽  
M. Seifi
Keyword(s):  
Transition Metal ◽  
Molecular Oxygen ◽  
Density Functional ◽  
Atomic Charge ◽  
Considerable Change ◽  
Graphene Sheets ◽  
Functional Theory ◽  
Doped Graphene ◽  
Charge Analysis ◽  
Metal Doped

Adsorption of molecular oxygen with a triplet ground state on Fe -, Co -, Ni -, Ru -, Rh -, Pd -, OS -, Ir - and Pt -doped graphene is studied using density functional theory (DFT) calculations. The calculations show that O 2 molecule is chemisorbed on the doped graphene sheets with large adsorption energies ranging from -0.653 eV to -1.851 eV and the adsorption process is irreversible. Mulliken atomic charge analysis of the structure shows that charge transfer from doped graphene sheets to O 2 molecule. The amounts of transferred charge are between 0.375e- to 0.650e-, indicating a considerable change in the structures conductance. These results imply that the effect of O 2 adsorption on transition metal-doped graphene structures can alter the possibility of using these materials as a toxic-gas (carbon monoxide, hydrogen fluoride, etc.) sensor.

Sign in / Sign up

Export Citation Format

Share Document