Molecular Catalysis, Journal Year: 2025, Volume and Issue: 579, P. 115048 - 115048
Published: March 27, 2025
Language: Английский
Molecular Catalysis, Journal Year: 2025, Volume and Issue: 579, P. 115048 - 115048
Published: March 27, 2025
Language: Английский
International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 106, P. 423 - 431
Published: Feb. 4, 2025
Language: Английский
Citations
0Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: Feb. 4, 2025
The design of cobalt complexes for the hydrogen evolution reaction (HER) has garnered significant attention over past few decades. To address limitations traditional trial-and-error method, we introduced strategy a simplified mechanism-based approach with data-driven practice (SMADP) in this study. Our results indicate that polypyridyl DPA-Bpy family (DPA-Bpy = N,N-bis(2-pyridinylmethyl)-2,2′-bipyridine-6-methanamine) generally follow electron transfer (E)–chemical proton (C)–electron (C) pathway HER. However, involvement proton-coupled (PCET) formation [CoII(L)–H]+ intermediate been observed PY5Me2 (PY5Me2 2,6-bis(1,1-di(pyridin-2-yl)ethyl)pyridine). Furthermore, hydricity (ΔGH–) and CoIII–H/CoII–H reduction potential (ERed°) are found to be active descriptors cobalt-catalyzed Excellent two-parameter regression models (ΔGH– ERed°) H2 molecule have obtained (R2 0.9429 R2 0.9854 family). demonstrate SMADP is groundbreaking method delineating This could also accelerate novel enhanced
Language: Английский
Citations
0Published: Jan. 1, 2025
Language: Английский
Citations
0ACS Materials Letters, Journal Year: 2025, Volume and Issue: unknown, P. 1042 - 1056
Published: Feb. 17, 2025
Language: Английский
Citations
0Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 162713 - 162713
Published: Feb. 1, 2025
Language: Английский
Citations
0Optical Materials, Journal Year: 2025, Volume and Issue: unknown, P. 116848 - 116848
Published: Feb. 1, 2025
Language: Английский
Citations
0Sustainable materials and technologies, Journal Year: 2025, Volume and Issue: unknown, P. e01316 - e01316
Published: Feb. 1, 2025
Language: Английский
Citations
0Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 533, P. 216546 - 216546
Published: Feb. 24, 2025
Language: Английский
Citations
0Biomass Conversion and Biorefinery, Journal Year: 2025, Volume and Issue: unknown
Published: March 6, 2025
Language: Английский
Citations
0Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: unknown, P. 179678 - 179678
Published: March 1, 2025
Language: Английский
Citations
0