Exploring Azafullerenes as Efficient Metal-Free Catalysts for Electrochemical Urea Synthesis: A Density Functional Theory Study DOI

Hao Xu,

Ming Lan Ge,

Xiaolei Yuan

et al.

Published: Jan. 1, 2024

Language: Английский

Review on strategies for improving the added value and expanding the scope of CO2 electroreduction products DOI
Minghang Jiang, Huaizhu Wang, Mengfei Zhu

et al.

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(10), P. 5149 - 5189

Published: Jan. 1, 2024

This review summarizes promising strategies including the design of catalysts and construction coupled electrocatalytic reaction systems, aimed at achieving selective production various products from CO 2 electroreduction.

Language: Английский

Citations

78
Urea Electrosynthesis Accelerated by Theoretical Simulations DOI Creative Commons
Junxian Liu, Xiangyu Guo, Thomas Frauenheim

et al.

Advanced Functional Materials, Journal Year: 2023, Volume and Issue: 34(14)

Published: Dec. 27, 2023

Abstract Urea is not only a primary fertilizer in modern agriculture but also crucial raw material for the chemical industry. In past hundred years, prevailing industrial synthesis of urea heavily relies on Bosch–Meiser process to couple NH 3 and CO 2 under harsh conditions, resulting high carbon emissions energy consumption. The conversion carbon‐ nitrogen‐containing species into through electrochemical reactions ambient conditions represents sustainable strategy. Despite increasing reports electrosynthesis, comprehensive review that delves profound, atomic‐level comprehension fundamental reaction mechanisms currently absent. this Perspective, recent advancements from /CO various nitrogenous (i.e., N , NO x − NO) are presented, with special emphasis theoretical understanding C─N coupling mechanisms. Several key strategies facilitate then pinpointed, which enhance their applicability practical experiments highlight significant progress achieved field. At end, major obstacles potential opportunities advancing electrosynthesis accelerated by simulations situ techniques discussed. This hoped act as roadmap ignite fresh insights inspiration development electrocatalytic synthesis.

Language: Английский

Citations

25
Defect and interface engineering for promoting electrocatalytic N-integrated CO2 co-reduction DOI
Zhichao Wang, Mengfan Wang,

Yunfei Huan

et al.

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION), Journal Year: 2024, Volume and Issue: 57, P. 1 - 17

Published: Feb. 1, 2024

Language: Английский

Citations

12
Single and double transition metal atoms doped graphdiyne for highly efficient electrocatalytic reduction of nitric oxide to ammonia DOI
Yuting Wu,

Jiarui Lv,

Fengjing Xie

et al.

Journal of Colloid and Interface Science, Journal Year: 2023, Volume and Issue: 656, P. 155 - 167

Published: Nov. 10, 2023

Language: Английский

Citations

23
Highly efficient and selective electrosynthesis of urea via co-reduction of carbon dioxide and nitrate over the TiN catalyst DOI

Hongjun Fang,

Ze Wang,

Chen-Han Kuo

et al.

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 486, P. 150178 - 150178

Published: March 5, 2024

Language: Английский

Citations

8
N2 reduction to NH3 on surfaces of Co-Al18P18, Ni-Al21N21, Fe-B24N24, Mn-B27P27, Ti-C60 and Cu-Si72 catalysts DOI
Chou‐Yi Hsu, Mohammed Ahmed Mustafa, Anupam Yadav

et al.

Journal of Molecular Modeling, Journal Year: 2024, Volume and Issue: 30(3)

Published: Feb. 7, 2024

Language: Английский

Citations

5
Benzohydroxamic acid adsorption on the surface of scheelite: New insights from experiments and AIMD simulations DOI

Qi Zuo,

Shuming Wen,

Dandan Wu

et al.

Applied Surface Science, Journal Year: 2024, Volume and Issue: 663, P. 160180 - 160180

Published: April 27, 2024

Language: Английский

Citations

5
Electrocatalytic Synthesis of Urea: An In‐depth Investigation from Material Modification to Mechanism Analysis DOI
Jianghui Cao, Fang Zhao, Chengjie Li

et al.

Small, Journal Year: 2024, Volume and Issue: 20(43)

Published: June 27, 2024

Abstract Industrial urea synthesis production uses NH 3 from the Haber‐Bosch method, followed by reaction of with CO 2 , which is an energy‐consuming technique. More thorough evaluations electrocatalytic C−N coupling are needed for development process, catalyst design, and underlying mechanisms. However, challenges adsorption activation reactant suppression side reactions still hinder its development, making systematic review necessary. This meticulously outlines progress in electrochemical utilizing different nitrogen (NO − N NO O) carbon (CO CO) sources. Additionally, it delves into advanced methods materials such as doping, facet engineering, alloying, vacancy introduction. Furthermore, existing classes catalysts clearly defined, include 2D nanomaterials, Mott–Schottky structure, artificially frustrated Lewis pairs, single−atom (SACs), heteronuclear dual−atom (HDACs). A comprehensive analysis benefits, drawbacks, latest developments modern detection techniques discussed. It aspired that this will serve a valuable reference subsequent designs highly efficient electrocatalysts strategies to enhance performance synthesis.

Language: Английский

Citations

4
Advances in Electrocatalytic Urea Synthesis: From Fundamentals to Applications DOI Creative Commons

Zhenlin Mo,

Jincheng Mu, Baojun Liu

et al.

Advanced Powder Materials, Journal Year: 2024, Volume and Issue: unknown, P. 100245 - 100245

Published: Oct. 1, 2024

Language: Английский

Citations

4
Screening of transition metal and boron atoms co-doped graphdiyne catalysts for electrocatalytic urea synthesis DOI

Weichan Zhong,

Dixing Chen,

Yuting Wu

et al.

Journal of Colloid and Interface Science, Journal Year: 2023, Volume and Issue: 655, P. 80 - 89

Published: Nov. 2, 2023

Language: Английский

Citations

11