Designing N, P-doped graphene surface-supported Mo single-atom catalysts for efficient conversion of nitrogen into ammonia: a computational guideline

Khedr, Ghada E.; Fawzy, Samar M.; Sharafeldin, Icell M.; Allam, Nageh K.

doi:10.1039/d4na00298a

Nanoscale Adv.

2024

DOI: 10.1039/d4na00298a

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Designing N, P-doped graphene surface-supported Mo single-atom catalysts for efficient conversion of nitrogen into ammonia: a computational guideline

Ghada E. Khedr,

Samar M. Fawzy,

Icell M. Sharafeldin

et al.

Abstract: Tuning the surroundings of single-atom catalysts (SACs) has been recognized as a successful approach to enhance their electrocatalytic efficiency.

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Cited by 2 publications

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Surface Engineering of Stainless-Steel 316L and 304L Electrodes for Hydrogen Production in Alkaline and Saline Water

Heiba,

Omran,

Abd El Hamid

et al. 2024

Energy Fuels

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Although green hydrogen is a promising future energy carrier, mass production of green hydrogen via water electrolysis is still contingent upon identifying cost-effective, scalable, and durable electrocatalysts. This study demonstrates a facile, controllable, and scalable process to modify stainless steel's morphology and chemical composition (SS) via anodic oxidation (anodization). Anodization was performed in an ethylene glycol/H 2 SO 4 /NH 4 F/MeOH-based bath to enhance the surface roughness, while the presence and absence of Cr, Fe, and Ni metal ions in the anodization bath were used to engineer the surface chemical composition. An effective cyclic voltammetry (CV)-based electrochemical activation step was implemented to enhance the electrocatalytic activity of the SS electrodes. The X-ray photoelectron spectroscopy (XPS) analysis confirmed the successful surface oxide reduction and Cr 6+ removal. The anodization bath containing Ni and Fe nitrates resulted in highly rough surfaces with electrochemical active surface areas (ECSA) of 8.4 and 9.8 cm −2 with a high degree of homogeneity for both SS 316L and SS 304L alloys, respectively. Upon their use as hydrogen evolution catalysts in both alkaline (1 M KOH) and neutral (0.5 M NaCl) aqueous electrolytes, the anodized SS 316L electrode, at the best conditions, exhibited an overpotential of 256 mV at 10 mA/cm 2 with a decrease in the overpotential and Tafel slope values of 112 and 32 mV/ dec, respectively, compared to that of the as-received SS 316L in alkaline water. The hydrogen evolution reaction (HER) was found to follow the Volmer−Heyrovsky mechanism in both alkaline and neutral water, with a difference in the adsorbed hydrogen binding energy, causing a dramatic increase in the overpotential in neutral water compared to the alkaline water.

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Surface Engineering of Stainless-Steel 316L and 304L Electrodes for Hydrogen Production in Alkaline and Saline Water

Heiba,

Omran,

Abd El Hamid

et al. 2024

Energy Fuels

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Tandem electroreduction of nitrate to green ammonia on recycled copper sheets from spent batteries: splicing surface roughness achieves high yield rate

Abdelmohsen,

Agour,

Badawy

et al. 2024

Sustainable Energy Fuels

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Designing N, P-doped graphene surface-supported Mo single-atom catalysts for efficient conversion of nitrogen into ammonia: a computational guideline

Abstract: Tuning the surroundings of single-atom catalysts (SACs) has been recognized as a successful approach to enhance their electrocatalytic efficiency.

Cited by 2 publications

References 51 publications

Surface Engineering of Stainless-Steel 316L and 304L Electrodes for Hydrogen Production in Alkaline and Saline Water

Surface Engineering of Stainless-Steel 316L and 304L Electrodes for Hydrogen Production in Alkaline and Saline Water

Tandem electroreduction of nitrate to green ammonia on recycled copper sheets from spent batteries: splicing surface roughness achieves high yield rate

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