Cutting Edge Hybrid Materials for Enhanced Electrocatalysis in Alkaline Hydrogen Evolution DOI

Anil Kumar,

Pooja Nehra,

D. C. Gautam

et al.

IGI Global eBooks, Journal Year: 2025, Volume and Issue: unknown, P. 121 - 154

Published: April 8, 2025

As HER efficiency is influenced by several parameters, including overpotential, Tafel slope, and exchange current density. MXenes MBenes effectively optimize these parameters improving the adsorption desorption of hydrogen atoms, thus enhancing overall reaction kinetics. Density Functional Theory (DFT) studies have provided insight into how modifications at atomic level in lead to favorable energetics. The binding energies intermediates most active sites on material's surface can be estimated using DFT simulations which further helps screening different compositions, enabling identification promising candidates for experimental validation. For instance, shown that certain possess basal plane activity, a rare property allows entire 2D contribute process, increasing number performance.

Language: Английский

Cutting Edge Hybrid Materials for Enhanced Electrocatalysis in Alkaline Hydrogen Evolution DOI

Anil Kumar,

Pooja Nehra,

D. C. Gautam

et al.

IGI Global eBooks, Journal Year: 2025, Volume and Issue: unknown, P. 121 - 154

Published: April 8, 2025

As HER efficiency is influenced by several parameters, including overpotential, Tafel slope, and exchange current density. MXenes MBenes effectively optimize these parameters improving the adsorption desorption of hydrogen atoms, thus enhancing overall reaction kinetics. Density Functional Theory (DFT) studies have provided insight into how modifications at atomic level in lead to favorable energetics. The binding energies intermediates most active sites on material's surface can be estimated using DFT simulations which further helps screening different compositions, enabling identification promising candidates for experimental validation. For instance, shown that certain possess basal plane activity, a rare property allows entire 2D contribute process, increasing number performance.

Language: Английский

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