Unraveling active ensembles consisting of clusters and single atoms for oxygen reduction: a synergy of machine learning and DFT calculations DOI
Xinyi Li,

Dongxu Jiao,

Jingxiang Zhao

et al.

Inorganic Chemistry Frontiers, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Combining ML and DFT, we screened 1521 candidates to identify 24 active ORR catalysts. Key metal features correlate with η , enabling efficient optimization. Pt 3 Ni-CoNC, Ni-ZnNC, V-ZnNC, Mo-CoNC show high activity durability.

Language: Английский

Rare-earth lanthanum-nitrogen-carbon enhanced by abundant microspores for efficient oxygen reduction reaction DOI
Ji Huang,

Cunhuai Yu,

Jiawang Li

et al.

Journal of Energy Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 1, 2025

Language: Английский

Citations

0
Nature-inspired diatomic Zn-Cu pairs trigger active two OH*-involved oxygen reduction reaction DOI
Wei Sang, Kun Liu, Tingting Wang

et al.

Nano Energy, Journal Year: 2025, Volume and Issue: unknown, P. 110861 - 110861

Published: March 1, 2025

Language: Английский

Citations

0
Unraveling active ensembles consisting of clusters and single atoms for oxygen reduction: a synergy of machine learning and DFT calculations DOI
Xinyi Li,

Dongxu Jiao,

Jingxiang Zhao

et al.

Inorganic Chemistry Frontiers, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Combining ML and DFT, we screened 1521 candidates to identify 24 active ORR catalysts. Key metal features correlate with η , enabling efficient optimization. Pt 3 Ni-CoNC, Ni-ZnNC, V-ZnNC, Mo-CoNC show high activity durability.

Language: Английский

Citations

0