The regulatory function of the d-orbital structure in TM@g-t-C4N3 for bifunctional catalysis of the oxygen evolution/reduction reaction DOI

Zhenduo Wang,

Mei-Chen Wu,

Yuhong Huang

et al.

Physical Chemistry Chemical Physics, Journal Year: 2023, Volume and Issue: 26(1), P. 558 - 568

Published: Nov. 29, 2023

A series of bifunctional OER/ORR SACs supported on g-t-C 4 N 3 is proposed. It found from DFT calculations that the d-orbital structure can regulate catalytic activity -based SACs.

Language: Английский

Materials Containing Single‐, Di‐, Tri‐, and Multi‐Metal Atoms Bonded to C, N, S, P, B, and O Species as Advanced Catalysts for Energy, Sensor, and Biomedical Applications DOI Creative Commons
Jitendra N. Tiwari, Krishan Kumar, Moein Safarkhani

et al.

Advanced Science, Journal Year: 2024, Volume and Issue: 11(33)

Published: July 1, 2024

Abstract Modifying the coordination or local environments of single‐, di‐, tri‐, and multi‐metal atom (SMA/DMA/TMA/MMA)‐based materials is one best strategies for increasing catalytic activities, selectivity, long‐term durability these materials. Advanced sheet supported by metal atom‐based have become a critical topic in fields renewable energy conversion systems, storage devices, sensors, biomedicine owing to maximum utilization efficiency, precisely located centers, specific electron configurations, unique reactivity, precise chemical tunability. Several offer excellent support are attractive applications energy, medical research, such as oxygen reduction, production, hydrogen generation, fuel selective detection, enzymatic reactions. The strong metal–metal metal–carbon with metal–heteroatom (i.e., N, S, P, B, O) bonds stabilize optimize electronic structures atoms due interfacial interactions, yielding activities. These provide models understanding fundamental problems multistep This review summarizes substrate structure‐activity relationship different active sites based on experimental theoretical data. Additionally, new synthesis procedures, physicochemical characterizations, biomedical discussed. Finally, remaining challenges developing efficient SMA/DMA/TMA/MMA‐based presented.

Language: Английский

Citations

24
Atomically Dispersed Cu Active Centers: Local Structure and Mechanism Modulation for Carbon Dioxide Reduction DOI Open Access

Xupeng Qin,

Qizheng An,

Jing Shang

et al.

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

Published: Jan. 10, 2025

Abstract Reducing carbon dioxide （CO 2 ）to high‐value products using green renewable energy is a promising approach for addressing and greenhouse effect issues. Consequently, electrocatalytic CO reduction reaction (CO RR) technology has become current research hotspot. Since the discovery of high activity selectivity copper in RR, atomically dispersed Cu catalysts have garnered widespread attention due to their efficient atom utilization, unique electronic structure, outstanding catalytic performance. However, great challenge remains providing rational catalyst design principles achieve regulation product distribution. A clear understanding materials an in‐depth interpretation mechanism as well elucidation strategy progress toward different are keys building solving above problem. Therefore, this review starts with introduction advanced characterization techniques reveal structure mechanisms. Then, various optimization strategies applications producing targeted summarized discussed. Finally, perspectives on RR field future development offered.

Language: Английский

Citations

3
Recent progress in Cu-based electrocatalysts for CO2 reduction DOI

R. Q. Xiong,

Huimin Xu, Hong-Rui Zhu

et al.

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 159210 - 159210

Published: Jan. 1, 2025

Language: Английский

Citations

1
Synergistic effect of oxygen vacancies and doped sulfur over BiOBr for efficient visible photocatalytic removal of dyes DOI
Yang Yu, Xuanyu Kuang,

Xuekun Jin

et al.

Applied Surface Science, Journal Year: 2023, Volume and Issue: 649, P. 159169 - 159169

Published: Dec. 19, 2023

Language: Английский

Citations

19
Rational design of highly efficient carbon-based materials for electrochemical CO2 reduction reaction DOI
Li Song, Shuai Li,

Zhanhua Wu

et al.

Fuel, Journal Year: 2023, Volume and Issue: 357, P. 129760 - 129760

Published: Sept. 26, 2023

Language: Английский

Citations

18
Single atom Cu-N-C catalysts for the electro-reduction of CO2 to CO assessed by rotating ring-disc electrode DOI Creative Commons
S. Pérez-Rodríguez, Manuel Gutiérrez,

C. Giménez-Rubio

et al.

Journal of Energy Chemistry, Journal Year: 2023, Volume and Issue: 88, P. 169 - 182

Published: Sept. 20, 2023

The electrochemical CO2 reduction reaction (CO2RR) to controllable chemicals is considered as a promising pathway store intermittent renewable energy. Herein, set of catalysts based on copper-nitrogen-doped carbon xerogel (Cu-N-C) are successfully developed varying the copper amount and nature precursor, for efficient CO2RR. electrocatalytic performance Cu-N-C materials assessed by rotating ring-disc electrode (RRDE), technique still rarely explored For comparison, products also characterized online gas chromatography in H-cell. as-synthesized found be active highly CO selective at low overpotentials (from −0.6 −0.8 V vs. RHE) 0.1 M KHCO3, while H2 from competitive water appears larger (−0.9 RHE). optimum acetate-derived catalyst containing Cu-N4 moieties exhibits CO2-to-CO turnover frequency 997 h−1 −0.9 RHE with H2/CO ratio 1.8. These results demonstrate that RRDE configuration can used feasible approach identifying electrolysis

Language: Английский

Citations

14
Machine learning accelerates the screening of single-atom catalysts towards CO2 electroreduction DOI
Yaxin Shi, Zhiqin Liang

Applied Catalysis A General, Journal Year: 2024, Volume and Issue: 676, P. 119674 - 119674

Published: March 13, 2024

Language: Английский

Citations

4
Engineering CuIn microenvironment for efficient acidic electrochemical CO2 reduction to CO DOI

Xuelei Lang,

Yunzhen Jia,

Qiang Fang

et al.

Applied Catalysis B Environment and Energy, Journal Year: 2025, Volume and Issue: unknown, P. 125244 - 125244

Published: March 1, 2025

Language: Английский

Citations

0
Efficient Cu3 clusters on MXene (Ti2CO2) for CO electroreduction DOI
Tiantian Wang, Hailong Li, Yulong Li

et al.

Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 163118 - 163118

Published: March 1, 2025

Language: Английский

Citations

0
C−C Coupling in CO2 Electroreduction on Single Cu‐Modified Covalent Triazine Frameworks: A Static and Dynamic Density Functional Theory Study DOI Creative Commons
Keitaro Ohashi, Kaito Nagita, Hiroki Yamamoto

et al.

ChemElectroChem, Journal Year: 2024, Volume and Issue: 11(6)

Published: Jan. 26, 2024

Abstract The electrochemical reduction of CO 2 into C 2+ products represents a promising solution to completing the carbon cycle, thereby fostering sustainable energy supply. Single‐atom electrocatalysts (SAECs) have garnered significant attention as efficient for reaction. Herein, we carried out first‐principles study on mechanism C−C bond formation single‐Cu‐atom‐modified covalent triazine frameworks (Cu‐CTFs), which are platform SAECs. Static density functional calculations indicated that dimerization CO, is main bulk Cu metals, was not favorable Cu‐CTFs because lack adjacent sites co‐adsorption molecules. Rather than dimerization, reaction between adsorbed *CHO and produce *COCHO has relatively low barrier. Constrained ab initio molecular dynamics analyses revealed bond‐forming proceeds via insertion at intermediate, modest activation 0.09 eV. Specifically, when molecule constrained be brought close *CHO, occurs distance 1.8 Å. This transition step this formation.

Language: Английский

Citations

3