Unveiling the spin adaptability of electrocatalytic nitrogen reduction catalyzed by Fe, Ru and Os-anchored nitrogen-doped graphene DOI
Wanping Yang, Yuxin Xie, Di Li

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 94, P. 136 - 144

Published: Nov. 11, 2024

Language: Английский

Metal-organic-framework-derived dual-atom catalysts: from synthesis to electrocatalytic applications DOI
Xiaoqin Xu, Jingqi Guan

Materials Science and Engineering R Reports, Journal Year: 2024, Volume and Issue: 162, P. 100886 - 100886

Published: Nov. 23, 2024

Language: Английский

Citations

14
Advancements in Electrocatalytic Nitrogen Reduction Reaction: A Review on the Role of Catalyst Electronic Structure and Design Strategies DOI
Wei Tan, Hongbo Zhao, Longhua Ding

et al.

ACS Applied Nano Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 5, 2025

Language: Английский

Citations

2
FeIr Alloy Optimizes the Trade‐Off Between Nitrate Reduction and Active Hydrogen Generation for Efficient Electro‐Synthesis of Ammonia in Neutral Media DOI Open Access
Jie Xiong,

Likun Jiang,

Botao Zhu

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 10, 2025

Abstract Electrochemically promoted nitrate reduction reaction (NITRR) holds great potential for the “green” synthesis of ammonia (NH 3 ). However, NITRR in neutral media, though close to practical scenario, is often limited by an insufficient supply active hydrogen (*H) due sluggish water cleavage. In this work, it demonstrated that a bimetallic alloy FeIr can optimize trade‐off between and *H formation media. As result, exhibits excellent catalytic performance toward with Faradaic efficiency NH up 97.3% high yield rate 11.67 mg h −1 cm −2 at low working −0.6 V (versus reversible electrode (RHE)), surpassing monometallic catalysts as well majority Fe‐based state‐of‐the‐art. It also found displays remarkable electron rearrangement hetero‐atoms their significant orbital hybridization, which benefits not only but process. Moreover, coupling FeIr‐based methanol oxidation (MOR) results sustainable productions formate combined FE nearly 200% cell‐voltage 2 V. This work thus demonstrates promising strategy designing efficient NITRR.

Language: Английский

Citations

2
Comprehensive Insight Into Electronic Modulation of Rare‐Earth Elements for Enhancing Electrocatalytic Performance of Atomically Dispersed Materials DOI Open Access
Yanhui Cao, Xuerong Zheng, Yida Deng

et al.

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 2, 2025

Abstract Atomically dispersed materials have been a thriving research field due to their maximum atomic utilization and remarkable performance in energy conversion storage systems. Owing the large radius, strong oxophilicity, unique electronic properties, rare‐earth (RE) elements widely investigated as oxide carriers promoters atomically manipulate regulate structure of active species. Single‐atom state with an adjustable coordination environment on N‐doped carbon endows RE metals special states outstanding catalytic performances. A thorough comprehension modulation mechanism paves way for construction advanced RE‐based electrocatalysts high activity, stability, selectivity. This review provides widespread insight into roles modulating properties combined structure–performance relationship electrocatalysis processes. The characteristic physical chemical are highlighted, synthetic strategy is discussed. Finally, summary perspectives rational design development highly efficient catalysts proposed. aims provide guideline promoting effective functional materials.

Language: Английский

Citations

1
Machine-learning-assisted design of novel metallic 2D C3N3 supported single/double atom catalysts for nitrogen reduction reaction DOI
Haikuan Liang, Jiarui Wang, Zhengping Qiao

et al.

Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 162451 - 162451

Published: Jan. 1, 2025

Language: Английский

Citations

1
Machine Learning Speeds Up the Discovery of Efficient Porphyrinoid Electrocatalysts for Ammonia Synthesis DOI Creative Commons
Wenfeng Hu, Bingyi Song, Li‐Ming Yang

et al.

Energy & environment materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 5, 2025

Two‐dimensional transition metal porphyrinoid materials (2DTMPoidMats), due to their unique electronic structure and tunable active sites, have the potential enhance interactions with nitrogen molecules promote protonation process, making them promising electrochemical reduction reaction (eNRR) electrocatalysts. Experimentally screening a large number of catalysts for eNRR catalytic performance would consume considerable time economic resources. First‐principles calculations machine learning (ML) algorithms could greatly improve efficiency catalyst screening. Using this approach, we selected 86 candidates capable catalyzing from 1290 types 2DTMPoidMats, verified results density functional theory (DFT) computations. Analysis full pathway shows that MoPp‐meso‐F‐β‐Py, MoPp‐β‐Cl‐meso‐Diyne, MoPp‐meso‐Ethinyl, WPp‐β‐Pz exhibit best onset −0.22, −0.19, −0.23, −0.35 V, respectively. This work provides valuable insights into efficient design promotes application ML algorithmic models in field catalysis.

Language: Английский

Citations

1
Exploring the Catalytic Performance of Oxygen-Coordinated Single-Atom Catalysts for Nitric Oxide Electroreduction DOI
Shiya Zhu, Yu Zhang, Wenbin Liu

et al.

The Journal of Physical Chemistry C, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 9, 2025

Language: Английский

Citations

1
Advanced systems for enhanced CO2 electroreduction DOI
Wenfu Xie, Bingkun Li, Lu Liu

et al.

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 4, 2024

This review explores the latest developments in CO 2 electroreduction based systems, including coupling reaction co-reduction cascade and integrated capture conversion systems.

Language: Английский

Citations

6
Leveraging Soft Acid‐Base Interactions Alters the Pathway for Electrochemical Nitrogen Oxidation to Nitrate with High Faradaic Efficiency DOI Open Access

Robin Singh,

Ashmita Biswas,

Narad Barman

et al.

Small, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 7, 2024

Abstract Electrocatalytic nitrogen oxidation reaction (N 2 OR) offers a sustainable alternative to the conventional methods such as Haber–Bosch and Ostwald processes for converting ) into high‐value‐added nitrate (NO 3 − under mild conditions. However, concurrent oxygen evolution (OER) inefficient N absorption/activation led slow OR kinetics, resulting in low Faradaic efficiencies NO yield rates. This study explored oxygen‐vacancy induced tin oxide (SnO ‐O v an efficient electrocatalyst, achieving impressive efficiency (FE) of 54.2% notable rate (22.05 µg h −1 mg cat at 1.7 V versus reversible hydrogen electrode (RHE) 0.1 m Na SO 4 . Experimental results indicate that SnO possesses substantially more vacancies than , correlating with enhanced performance. Computational findings suggest superior performance relatively overpotential is due reduced thermodynamic barrier *N OH during rate‐determining step, making this step energetically favorable adsorption OER. work demonstrates feasibility ambient synthesis on soft acidic Sn active site introduces new approach rational catalyst design.

Language: Английский

Citations

3
Single-atom tungsten anchoring on monolayer T-C3N2 as a promising nitrogen reduction electrocatalyst: A combined DFT and machine learning study DOI
Yunxia Liang,

Chengwei Yang,

Liangshi Wang

et al.

Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: 57, P. 105764 - 105764

Published: Jan. 1, 2025

Language: Английский

Citations

0