International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 96, P. 1281 - 1298
Published: Nov. 30, 2024
Language: Английский
International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 96, P. 1281 - 1298
Published: Nov. 30, 2024
Language: Английский
Materials Today Physics, Journal Year: 2024, Volume and Issue: 42, P. 101382 - 101382
Published: Feb. 25, 2024
Language: Английский
Citations
31Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 506, P. 215722 - 215722
Published: Feb. 16, 2024
Language: Английский
Citations
26Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 523, P. 216226 - 216226
Published: Oct. 7, 2024
Language: Английский
Citations
18Materials Today Physics, Journal Year: 2024, Volume and Issue: 44, P. 101444 - 101444
Published: April 23, 2024
Language: Английский
Citations
16Materials Today, Journal Year: 2024, Volume and Issue: 76, P. 110 - 135
Published: June 11, 2024
Language: Английский
Citations
12Journal of Materials Chemistry A, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
We employ first-principles calculations to systematically investigate the electrocatalytic activity and selectivity of various iMXenes for CH 4 production. Our study includes thorough investigation bare O-terminated iMXenes.
Language: Английский
Citations
1Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: unknown, P. 178846 - 178846
Published: Jan. 1, 2025
Language: Английский
Citations
1Advanced Science, Journal Year: 2025, Volume and Issue: unknown
Published: April 1, 2025
Abstract Electrocatalysis holds immense promise for producing high‐value chemicals and fuels through the carbon dioxide reduction reaction (CO 2 RR), advancing global sustainability neutrality. However, conventional electrocatalysts based on transition metals are often limited by significant overpotentials. Since discovery of first hexagonal MAB ( h ‐MAB) phase, Ti InB , its 2D derivative in 2019, metal borides ‐MBenes) have emerged as promising candidates various electrochemical applications. This study presents theoretical investigation into CO RR catalytic properties pristine ‐MBenes ‐MB) their ─O ‐MBO) ─OH ‐MBOH) terminated counterparts, focusing such Sc, Ti, V, Zr, Nb, Hf, Ta. These results reveal while ‐MB ‐MBO exhibit poor performance due to overly strong or weak interactions with ‐MBOH shows great promise. Notably, ScBOH, TiBOH, ZrBOH display exceptionally low limiting potentials U L ) −0.46, −0.53, −0.64 respectively. findings uncover unique role tuning electronic ‐MBenes, thereby optimizing intermediate adsorption, which prevents excessive binding enhances efficiency. research offers valuable insights potential highly efficient catalysts, underscoring versatility prospects
Language: Английский
Citations
1ChemElectroChem, Journal Year: 2024, Volume and Issue: 11(5)
Published: Jan. 12, 2024
Abstract Electrochemical carbon dioxide reduction (CO 2 RR) is gaining momentum as an effective process to capture and convert CO into valuable chemicals fuels, well contribute reducing greenhouse gas emissions. Two‐dimensional transition metal carbides and/or nitrides (MXenes) are increasingly attracting attention RR electrocatalysts due their enhanced chemical activity selectivity, overcoming limitations of traditional electrocatalysts, likely breaking the scaling relations reaction intermediates toward desired product. The present concept reviews state‐of‐the‐art in computational description on MXenes, going from activation pristine models different surface terminations, discuss possible ways tune catalytic including doping, defects, supported single atoms, solvent effects, electric field while putting spotlight prospects by kinetic aspects.
Language: Английский
Citations
8Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(11), P. 6515 - 6526
Published: Jan. 1, 2024
Regarding the controversial issue of CO 2 activation on metal-based catalysts, a novel “bidirectional electron transfer” mechanism was unraveled.
Language: Английский
Citations
7