Efficient Electrocatalytic Ammonia Synthesis via Theoretical Screening of Titanate Nanosheet-Supported Single-Atom Catalysts DOI Open Access

Kaiheng Zhao,

Jingnan Wang, Yongan Yang

et al.

Materials, Journal Year: 2024, Volume and Issue: 17(10), P. 2239 - 2239

Published: May 9, 2024

The electrocatalytic nitrogen reduction reaction (NRR) for synthesizing ammonia holds promise as an alternative to the traditional high-energy-consuming Haber-Bosch method. Rational and accurate catalyst design is needed overcome challenge of activating N2 suppress competitive hydrogen evolution (HER). Single-atom catalysts have garnered widespread attention due their 100% atom utilization efficiency unique catalytic performance. In this context, we constructed theoretical models metal single-atom supported on titanate nanosheets (M-TiNS). Initially, density functional theory (DFT) was employed screen 12 NRR- HER-related barriers, leading identification theoretically optimal NRR catalyst, Ru-TiNS. Subsequently, experimental synthesis Ru-TiNS successfully achieved, exhibiting excellent performance in catalyzing NRR, with highest NH3 yield rate reaching 15.19 μmol mgcat-1 h-1 a Faradaic (FE) 15.3%. combination results calculations demonstrated efficient ability Ru sites, validating effectiveness screening process providing foundation catalysts.

Language: Английский

Advances in rare earth catalysts for small molecule electrosynthesis☆ DOI

Junfeng Du,

Jing Yu,

Chaohui Guan

et al.

Journal of Rare Earths, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 1, 2025

Language: Английский

Citations

1
Synergistic effect of bimetallic active sites on Ce doped NH2–MIL-125 for promoting photocatalytic conversion of nitrogen to NH3 DOI
Libo Wang, Yuhan Wang,

Zhenhua Hou

et al.

Journal of Alloys and Compounds, Journal Year: 2024, Volume and Issue: 995, P. 174622 - 174622

Published: May 3, 2024

Language: Английский

Citations

4
Enhancing Green Ammonia Electrosynthesis through Bi–Mo Bimetallic Oxides on Two-Dimensional Ti3C2Tx MXene under Ambient Conditions DOI
Rui Zhang,

Shanna An,

Jiali Ren

et al.

ACS Materials Letters, Journal Year: 2025, Volume and Issue: unknown, P. 1612 - 1619

Published: March 27, 2025

Language: Английский

Citations

0
Efficient Electrocatalytic Ammonia Synthesis via Theoretical Screening of Titanate Nanosheet-Supported Single-Atom Catalysts DOI Open Access

Kaiheng Zhao,

Jingnan Wang, Yongan Yang

et al.

Materials, Journal Year: 2024, Volume and Issue: 17(10), P. 2239 - 2239

Published: May 9, 2024

The electrocatalytic nitrogen reduction reaction (NRR) for synthesizing ammonia holds promise as an alternative to the traditional high-energy-consuming Haber-Bosch method. Rational and accurate catalyst design is needed overcome challenge of activating N2 suppress competitive hydrogen evolution (HER). Single-atom catalysts have garnered widespread attention due their 100% atom utilization efficiency unique catalytic performance. In this context, we constructed theoretical models metal single-atom supported on titanate nanosheets (M-TiNS). Initially, density functional theory (DFT) was employed screen 12 NRR- HER-related barriers, leading identification theoretically optimal NRR catalyst, Ru-TiNS. Subsequently, experimental synthesis Ru-TiNS successfully achieved, exhibiting excellent performance in catalyzing NRR, with highest NH3 yield rate reaching 15.19 μmol mgcat-1 h-1 a Faradaic (FE) 15.3%. combination results calculations demonstrated efficient ability Ru sites, validating effectiveness screening process providing foundation catalysts.

Language: Английский

Citations

3