Modulating Selectivity and Stability of the Direct Seawater Electrolysis for Sustainable Green Hydrogen Production

Materials Today Catalysis, Год журнала: 2025, Номер unknown, С. 100089 - 100089

Опубликована: Фев. 1, 2025

Язык: Английский

---

New insights into the long-range interaction mechanism of nitrogen reduction

Journal of Energy Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Март 1, 2025

Язык: Английский

---

Rational Design of Carbon‐Based Electrocatalysts for H₂O₂ Production by Machine Learning and Structural Engineering

Advanced Energy Materials, Год журнала: 2025, Номер unknown

Опубликована: Апрель 17, 2025

Abstract Electrochemical synthesis of hydrogen peroxide (H 2 O ) via two‐electron oxygen reduction reaction (2e − ORR) represents an economically viable alternative to conventional anthraquinone processes. While noble metal catalysts have dominated this field, carbon‐based materials are emerging as promising alternatives due their low cost, abundant reserves, and tunable properties. This mini‐review summarizes recent advances in computational methods, particularly the integration density functional theory (DFT) with machine learning (ML), accelerate rational design electrocatalysts by enabling rapid screening structure‐training predictions. Meanwhile, optimization strategies systematically investigated, focusing on four key aspects: atomic‐level heterochromatic doping, defect engineering, microenvironment control, morphological design. Despite significant progress achieving high selectivity activity, challenges remain scaling these for industrial applications. Moving H will require multidisciplinary efforts combining advanced situ characterization techniques, modeling, process engineering develop robust suitable diverse operating conditions.

Язык: Английский

---

Advanced Multifunctional Electrocatalysts: Integrating DFT and Machine Learning for OER, HER, and ORR Reactions

Chemistry of Materials, Год журнала: 2025, Номер unknown

Опубликована: Май 14, 2025

Язык: Английский

---