{"title":"Optimizing CO2 electroreduction: theoretical insights for enhancing efficiency across elementary steps","authors":"Hengan Wang, Xinchen Kang, Buxing Han","doi":"10.1039/d5cs00780a","DOIUrl":null,"url":null,"abstract":"The electrochemical CO<small><sub>2</sub></small> reduction reaction (CO<small><sub>2</sub></small>RR) can convert CO<small><sub>2</sub></small> emissions into valuable fuels and chemicals, offering a promising pathway to close the carbon cycle. However, existing CO<small><sub>2</sub></small>RR systems face challenges in holistically optimizing interdependent elementary processes, such as adsorption, electron–proton transfer, and mass transport, resulting in unavoidable trade-offs between selectivity, activity, and stability. To address these limitations, a thorough analysis of these elementary steps is essential, supported by theoretical frameworks to guide the design of electrocatalytic systems. By systematically optimizing each process, CO<small><sub>2</sub></small>RR performance can be significantly enhanced. This review provides a comprehensive overview of the theories and applications governing elementary steps in CO<small><sub>2</sub></small>RR systems for fine-tuning both catalysts and their near-catalyst environments. The deactivation mechanisms of electrocatalysts are discussed, along with strategies to enhance their stability. Furthermore, alternative anodic reactions that enhance the energy efficiency of the associated system are outlined, along with experimental methodologies for investigating CO<small><sub>2</sub></small>RR mechanisms. Finally, the review critically assesses the challenges and future prospects in CO<small><sub>2</sub></small>RR research. Through this in-depth analysis, the review advances the understanding of key theoretical principles and their practical applications in CO<small><sub>2</sub></small>RR, offering valuable insights for the design and industrial implementation of electrocatalytic CO<small><sub>2</sub></small>RR systems.","PeriodicalId":68,"journal":{"name":"Chemical Society Reviews","volume":"28 1","pages":""},"PeriodicalIF":39.0000,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Society Reviews","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d5cs00780a","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The electrochemical CO2 reduction reaction (CO2RR) can convert CO2 emissions into valuable fuels and chemicals, offering a promising pathway to close the carbon cycle. However, existing CO2RR systems face challenges in holistically optimizing interdependent elementary processes, such as adsorption, electron–proton transfer, and mass transport, resulting in unavoidable trade-offs between selectivity, activity, and stability. To address these limitations, a thorough analysis of these elementary steps is essential, supported by theoretical frameworks to guide the design of electrocatalytic systems. By systematically optimizing each process, CO2RR performance can be significantly enhanced. This review provides a comprehensive overview of the theories and applications governing elementary steps in CO2RR systems for fine-tuning both catalysts and their near-catalyst environments. The deactivation mechanisms of electrocatalysts are discussed, along with strategies to enhance their stability. Furthermore, alternative anodic reactions that enhance the energy efficiency of the associated system are outlined, along with experimental methodologies for investigating CO2RR mechanisms. Finally, the review critically assesses the challenges and future prospects in CO2RR research. Through this in-depth analysis, the review advances the understanding of key theoretical principles and their practical applications in CO2RR, offering valuable insights for the design and industrial implementation of electrocatalytic CO2RR systems.
期刊介绍:
Chemical Society Reviews is published by: Royal Society of Chemistry.
Focus: Review articles on topics of current interest in chemistry;
Predecessors: Quarterly Reviews, Chemical Society (1947–1971);
Current title: Since 1971;
Impact factor: 60.615 (2021);
Themed issues: Occasional themed issues on new and emerging areas of research in the chemical sciences