Transition Metal (Mn, Fe, Co, Ni)-Doped Graphene Hybrids for Electrocatalysis

2013 ◽  
Vol 8 (6) ◽  
pp. 1295-1300 ◽  
Author(s):  
Rou Jun Toh ◽  
Hwee Ling Poh ◽  
Zdeněk Sofer ◽  
Martin Pumera
Keyword(s):  
Transition Metal ◽  
Doped Graphene

scholarly journals Sulfur-doped graphene/transition metal dichalcogenide heterostructured hybrids with electrocatalytic activity toward the hydrogen evolution reaction

2019 ◽  
Vol 1 (4) ◽  
pp. 1489-1496 ◽  
Author(s):  
Antonia Kagkoura ◽  
Mario Pelaez-Fernandez ◽  
Raul Arenal ◽  
Nikos Tagmatarchis
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Electrocatalytic Activity ◽  
Transition Metal Dichalcogenide ◽  
Doped Graphene

The preparation of SG/MoS2 and SG/WS2 heterostructured hybrids with high electrocatalytic activity towards the HER is accomplished.

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.

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