Recent Advances in MOF−Based Dual−Atom Catalysts for CO2 Reduction DOI
Wenjie Shi, Tong‐Bu Lu

Chemistry - A European Journal, Journal Year: 2025, Volume and Issue: unknown

Published: April 26, 2025

Abstract In recent years, the development of efficient catalysts for photo−/electro−catalytic CO 2 reduction reaction (CO RR) has become a major research focus due to growing environmental concerns and energy demands. Dual−atom (DACs), composed two metal atoms with suitable metal−metal distance integrated into supports, have shown great promise in enhancing catalytic performance via dual−metal synergistic catalysis (DMSC) effect. This review highlights advancements Metal−organic framework (MOF)−based DACs, which combine high atomic efficiency DACs tunable defined structures loadings. this review, we summarized developments on synthesis strategies MOF−based their applications RR, focusing role DMSC effect improving activity, stability, selectivity. Additionally, also discuss influence local electronic structure, coordination environment, atom interactions performance. aims provide comprehensive understanding MOF − based offers insights future potential sustainable conversion.

Language: Английский

Structure–Stability Relation of Single-Atom Catalysts under Operating Conditions of CO2 Reduction DOI
Yu Cui, Chunjin Ren, Mingliang Wu

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(42), P. 29169 - 29176

Published: Oct. 10, 2024

Single-atom catalysts (SACs) have exhibited exceptional atomic efficiency and catalytic performance in various reactions but suffer poor stability. Understanding the structure-stability relation is prerequisite for stability optimization has been rarely explored due to complexity of degradation process reaction environments. Herein, we successfully established N-doped carbon-supports SACs (MN

Language: Английский

Citations

14
Selective CO2 Reduction over γ-Graphyne Supported Single-Atom Catalysts: Crucial Role of Strain Regulation DOI
Tianyang Liu,

Tianze Xu,

Tianchun Li

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(34), P. 24133 - 24140

Published: Aug. 14, 2024

The two-electron CO

Language: Английский

Citations

13
Theoretical Insights into the Selectivity of Single-Atom Fe–N–C Catalysts for Electrochemical NOx Reduction DOI

Yao Tan,

Junwei Fu, Tao Luo

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 2, 2025

Single-atom Fe-N-C catalysts have attracted significant attention in the NOx reduction reaction (NOxRR). However, origin of their selectivity NOxRR remains unclear, impeding further advancements application. Herein, we investigate potential-driven competitive mechanism for NH3 and NH2OH production over single-atom pyridinic-FeN4 pyrrolic-FeN4 sites using constant-potential density functional theory calculations. The is linked to switching Fe 3d orbitals as they interact with intermediates. between determined by applied potentials. predominantly generates at higher potentials (-0.6 -1.2 V, vs SHE), while favored lower (0.6 -0.6 V). shows a similar potential-dependent product distribution, crossover potential -1.0 V. selectivity-determining intermediates (SDIs) are *NH2OH *NH2 + *OH. governed interacting SDIs, from dumbbell-shaped 3dz2 four-leaf clover-like 3dxz, 3dyz, 3dx2-y2, which plays crucial role controlling distribution based on These findings offer new insights into NOxRR.

Language: Английский

Citations

2
The Origin of Li2S2 Reduction Mechanism Modulated by Single‐Atom Catalyst for all Solid‐State Li‐S Batteries DOI Open Access
Miao He,

Yuxing Fan,

Shen Liu

et al.

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

Published: Feb. 10, 2025

Abstract All solid‐state lithium‐sulfur batteries (ASSLSBs) demonstrate tremendous potential in the next‐generation energy storage system. Nevertheless, incomplete conversion of Li 2 S to within sulfur electrode imposes a substantial impediment on capacity release. Herein, nickel single‐atom catalyst (NiNC) materials are employed ameliorate sluggish reaction kinetics polysulfides. Moreover, unknown origin catalytic activity NiNC ASSLSBs is revealed by using ligand‐field theory. The results show that orbital Ni exhibits significant vertical hybridization phenomenon from inert dsp state active d sp 3 state, which exerts effect reduction S. As result, assembled attain release 1506.9 mAh g −1 at 0.05 C and more than 70% retention ratio after 600 cycles high rate C. in‐depth study ‐orbitals catalysts this work offers deep insights into relationship between substrate substance novel perspective for realization ASSLSB with density.

Language: Английский

Citations

2
From Single-Atom to Dual-Atom: A Universal Principle for the Rational Design of Heterogeneous Fenton-like Catalysts DOI

Shengbo Wang,

Xiuli Hou,

Yichan Li

et al.

Environmental Science & Technology, Journal Year: 2025, Volume and Issue: unknown

Published: April 22, 2025

Developing efficient heterogeneous Fenton-like catalysts is the key point to accelerating removal of organic micropollutants in advanced oxidation process. However, a general principle guiding reasonable design highly has not been constructed up now. In this work, total 16 single-atom and 272 dual-atom transition metal/nitrogen/carbon (TM/N/C) for H2O2 dissociation were explored systematically based on high-throughput density functional theory machine learning. It was found that TM/N/C exhibited distinct volcano-type relationship between catalytic activity •OH adsorption energy. The favorable energies range -3.11 ∼ -2.20 eV. Three different descriptors, namely, energetic, electronic, structural found, which can correlate intrinsic properties their activity. Using energy, stability, activation energy as evaluation criteria, two CoCu/N/C CoRu/N/C screened out from candidates, higher than best catalyst due synergistic effect. This work could present conceptually novel understanding inspire structure-oriented viewpoint volcano relationship.

Language: Английский

Citations

2
Enhanced g-C3N4 photocatalytic removal of tetracycline under visible light: Synergistic effect of N vacancies and Ni, Zr co-doping DOI
Peng Wang, Hai‐Tao Ren, Xinxin Yu

et al.

Journal of Photochemistry and Photobiology A Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 116308 - 116308

Published: Jan. 1, 2025

Language: Английский

Citations

1
Single-atom catalysts for electrocatalytic conversion of biomass-derived small molecules DOI
Yulu Yang, Shengkai Li, Wenjie Wu

et al.

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 534, P. 216576 - 216576

Published: March 6, 2025

Language: Английский

Citations

1
A Review on Single Site Catalysts for Electrochemical CO2 Reduction DOI
Fan Yang, Haoyu Han,

Hailong Duan

et al.

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

Published: March 18, 2025

Abstract Single site catalysts (SSCs), characterized by high atomic utilization and well‐defined active sites, exhibit significant potential in the field of CO 2 electroreduction (CO RR). Typically, SSCs tend to a 2‐electron transfer reaction RR, there remain challenges achieving efficient conversion above 2‐electrons (methane (CH 4 ) multicarbon products(C 2+ ). Therefore, systematic review is crucial summarize recent advancements single electrocatalysts their structure‐activity relationship. The discussion begins with state‐of‐the‐art characterization techniques SSCs. Then influence central atoms, coordination environments, support metal‐support interactions on catalytic performance discussed detail. Subsequently, regulation strategies improve activity selectivity CH C products are discussed. Furthermore, dynamic evolution metal sites true nature during RR also addressed. Finally, associated for product formation analyzed.

Language: Английский

Citations

1
Novel Depressant Based on Hybridization Theory for the Separation of Galena and Realgar: Experimental Study and Adsorption Mechanism DOI Open Access
Zhiqiang Zhao,

Zehui Gao,

Chuanyao Sun

et al.

Minerals, Journal Year: 2025, Volume and Issue: 15(3), P. 200 - 200

Published: Feb. 20, 2025

In lead concentrate cleaning, achieving efficient separation of galena from realgar—both significant naturally floatable minerals-relies critically on selective depression. This study introduces dimercaptosuccinic acid (DMSA) as a novel organic depressant by leveraging its distinct carbon-sulfur hybridization compared to diethyldithiocarbamate (DDTC). Quantum chemical analyses reveal that the sp3-hybridized sulfur in DMSA exhibits enhanced p-orbital reactivity, enabling stronger adsorption via Pb-S bonding. At pH 6.5, (4 mg/L) achieved optimal with index 11.88, outperforming DDTC (10 mg/L). FTIR/XPS confirmed DMSA’s chemisorption galena, while theoretical calculations highlighted superior bond strength DDTC. Notably, lower dosage and reduced environmental impact position it sustainable alternative inorganic depressants. work provides fundamental insights into orbital-driven mechanisms, advancing rational design eco-friendly flotation reagents.

Language: Английский

Citations

1
Catalysis under electric-/magnetic-/electromagnetic-field coupling DOI

Canyu Hu,

Yueyue Dong,

Qianqi Shi

et al.

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

Published: Dec. 19, 2024

This review outlines recent advances in field-regulated catalysis and reveals the key role of dipole manipulation by electric/magnetic/electromagnetic fields.

Language: Английский

Citations

6