Role of Heteroatom Doping in Enhancing the Catalytic Activities and Stability of Atomically Dispersed Metal Catalysts for Oxygen Evolution Reaction DOI
Xueqi Cheng, Dengfeng Wu, Hui Xu

et al.

The Journal of Physical Chemistry C, Journal Year: 2024, Volume and Issue: 128(29), P. 12101 - 12108

Published: July 15, 2024

Language: Английский

“Blocking and rebalance” mechanism-guided design strategies of bimetallic doped 2D α-phosphorus carbide as efficient catalysts for N2 electroreduction DOI
Cheng He,

Jianglong Ma,

Xi Shen

et al.

Journal of Energy Chemistry, Journal Year: 2024, Volume and Issue: 97, P. 68 - 78

Published: June 4, 2024

Language: Английский

Citations

44
Electroreduction of Nitrite to Ammonia over a Cobalt Single-Atom Catalyst DOI
Hongyan Zhao,

Jiaqi Xiang,

Zeyi Sun

et al.

ACS Sustainable Chemistry & Engineering, Journal Year: 2024, Volume and Issue: 12(7), P. 2783 - 2789

Published: Feb. 2, 2024

Electrochemical nitrite-to-ammonia reduction (NO2RR) holds great promise for converting harmful NO2– into valuable NH3. Herein, we develop Co single atoms dispersed on a C3N4 substrate (Co1/C3N4) as an efficient catalyst toward the NO2RR. Experimental and theoretical investigations reveal that single-atom sites can effectively active optimize formation energy of key *NOH intermediate to promote → NH3 energetics. Remarkably, Co1/C3N4 equipped in flow cell delivers exceptional NH3–Faradaic efficiency 97.9% yield rate 1080.3 μmol h–1cm–2 at industrial-level current density 355 mA cm–2, along with long-term durability 100 h electrolysis, showing considerable potential practical electrosynthesis.

Language: Английский

Citations

31
Multi-atomic loaded C2N1 catalysts for CO2 reduction to CO or formic acid DOI
Yimeng Sun, Lin Tao, Mingjie Wu

et al.

Nanoscale, Journal Year: 2024, Volume and Issue: 16(20), P. 9791 - 9801

Published: Jan. 1, 2024

Triple-atom catalysts exhibit moderate adsorption energy for intermediate species, enabling the optimal performance of CO 2 electrocatalytic reduction reaction.

Language: Английский

Citations

18
Recent advances and challenges of double-atom catalysts in diverse environmental applications: A state-of-the-art review DOI
Tong Hu, Wenjun Zhou,

Wangwang Tang

et al.

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 532, P. 216545 - 216545

Published: Feb. 19, 2025

Language: Английский

Citations

2
Graphene-based iron single-atom catalysts for electrocatalytic nitric oxide reduction: a first-principles study DOI
Haobo Li, Donghai Wu,

Jiarui Wu

et al.

Nanoscale, Journal Year: 2024, Volume and Issue: 16(14), P. 7058 - 7067

Published: Jan. 1, 2024

The electrocatalytic NO reduction reaction (NORR) emerges as an intriguing strategy to convert harmful into valuable NH

Language: Английский

Citations

15
Metal-organic framework-derived diatomic catalysts for environmental remediation: Synthesis, applications and improvement strategies DOI
Tong Hu, Wenjun Zhou,

Wangwang Tang

et al.

Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 526, P. 216357 - 216357

Published: Nov. 29, 2024

Language: Английский

Citations

14
Unlocking the potential of alkaline-earth metal active centers for nitrogen activation and ammonia synthesis: the role of s–d orbital synergy DOI
Donghai Wu,

Jiarui Wu,

Haobo Li

et al.

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(7), P. 4278 - 4289

Published: Jan. 1, 2024

N 2 can be activated via s–d orbital synergy of AE metal active centers, i.e. , metals's orbitals share electrons with their empty d orbitals, and then the partially occupied exchange σ π* .

Language: Английский

Citations

9
Progress, challenges, and prospects with electrocatalyst (From transition metal oxides to dual-atom catalysts) for oxygen reduction reaction DOI
Teddy Mageto, Sanket Bhoyate, Anuj Kumar

et al.

Molecular Catalysis, Journal Year: 2024, Volume and Issue: 562, P. 114196 - 114196

Published: May 7, 2024

Language: Английский

Citations

7
Efficient hydrogen splitting via single atom catalysts supported on Zn12O12 nanocage for sustainable clean fuel production DOI
Ali Hussain, Muhammad Yar, Rayed S. Alshareef

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 58, P. 806 - 821

Published: Jan. 29, 2024

Language: Английский

Citations

6
Density Functional Theory Study of Nitrogen Fixation Electrocatalysts Based on Two-Dimensional Conjugated Metal–Organic Frameworks DOI

Zheng-Yun Xiong,

Ying Xu,

An Yu Bao

et al.

ACS Applied Nano Materials, Journal Year: 2024, Volume and Issue: 7(4), P. 4220 - 4227

Published: Feb. 14, 2024

Creating high-performance single-atom catalysts for the electrochemical nitrogen reduction reaction (NRR) is a crucial approach. Two-dimensional metal–organic frameworks (MOFs) have captured significant attention as NRR due to their lightweight and large pores. Using density functional theory (DFT) calculations, we explored series of TM3C18N6X12 (X = S or NH, TM Mo, Cr, W, Fe, Mn, Os, Ni, Ir, Pd, Pt, Rh) two-dimensional potential through three-step screening strategy. The influence coordinating atoms around transition metal also examined, specifically, TMS4 TMS2(NH)2. Our findings indicate that Os3C18S12N6 MOF exhibits best activity selectivity, with an overpotential only 0.28 V along distal pathway, which lower than most reported materials. adsorption activation N2 are influenced by σ-acceptance-π* donation mechanism. Additionally, established descriptors related valence electron (ΔQTMXTM) magnetic moment (μTM–μX) explore relationship between catalytic descriptors. This work can offer valuable insights designing promising electrocatalysts based on MOFs.

Language: Английский

Citations

6