Active-site stabilized Bi metal–organic framework-based catalyst for highly active and selective electroreduction of CO<sub>2</sub> to formate over a wide potential window

Cao, Leliang; Huang, Jie; Wu, Xueying; Ma, Ben; Xu, Qingqing; Zhong, Yuanhong; Wu, Ying; Sun, Ming; Yu, Lin

doi:10.1039/d3nr04962k

Nanoscale

2023

DOI: 10.1039/d3nr04962k

|View full text |Cite

Active-site stabilized Bi metal–organic framework-based catalyst for highly active and selective electroreduction of CO₂ to formate over a wide potential window

Leliang Cao,

Jie Huang,

Xueying Wu

et al.

Abstract: The fabricated bismuth-terephthalate framework (Bi-BDC) showed a high efficiency for electroreduction of CO2 to formate over a wide potential window. Bi-BDC gradually evolved to Bi2O2CO3 after a long-term reaction but remained an excellent activity.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article5

Relationship

Self Cite0

Independent5

Authors

Journals

Cited by 6 publications

References 59 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO₂ Electrolysis to Formate in Ultra‐Wide Potential Window

Li,

Jin,

Zhang

et al. 2024

Adv Funct Materials

View full text Add to dashboard Cite

The electrochemical CO2 reduction reaction (ECO2RR) has emerged as a promising technology for achieving carbon neutralization. Even though considerable efforts are dedicated to gain deep insight into the understanding of ECO2RR on a mechanism level through density functional theory (DFT) studies, effects of solvent molecules and temperature have long been neglected by conventional DFT calculations as a consequence of limitations in current technologies and computational power of supercomputers. Under this context, the lack of comprehensive understanding over the energy changes in the reaction derived from the only concern on free energy changes between reaction intermediates have arouse an urgent call for exploring feasible calculation options toward generalized theoretical study. Here, a systematic mechanism study is provided toward ECO2RR via constrained ab initio molecular dynamics (cAIMD) simulations, in which the effects of solvent water molecules and temperature are taken into consideration to guide the synthesis of single‐atom alloy (SAA) catalyst. Consequently, the resultant Pr0.05/InBi achieves a maximum Faradic efficiency (FE) of 96.4% and an energy efficacy (EE) of 59.41% for formate. This work offers a novel approach to the design and screening of SAA catalysts, presenting foreseeable future in accelerating the industrial application process of ECO2RR.

show abstract

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO₂ Electrolysis to Formate in Ultra‐Wide Potential Window

Li,

Jin,

Zhang

et al. 2024

Adv Funct Materials

View full text Add to dashboard Cite

show abstract

Exploring precursor effect in in-situ reconstruction of Bi metal organic-frameworks during CO2 electroreduction reaction to tailor formate selectivity towards 100%

Liu,

Fan,

Huo

et al. 2024

Sci. China Chem.

View full text Add to dashboard Cite

Boosting and stabilizing the electrocatalytic reduction of carbon dioxide on Bi2O2CO3 via surface modification with p-aminobenzoic acid

Cao,

Huang,

et al. 2024

Applied Catalysis B: Environment and Energy

View full text Add to dashboard Cite

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Active-site stabilized Bi metal–organic framework-based catalyst for highly active and selective electroreduction of CO₂ to formate over a wide potential window

Abstract: The fabricated bismuth-terephthalate framework (Bi-BDC) showed a high efficiency for electroreduction of CO2 to formate over a wide potential window. Bi-BDC gradually evolved to Bi2O2CO3 after a long-term reaction but remained an excellent activity.

Cited by 6 publications

References 59 publications

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO₂ Electrolysis to Formate in Ultra‐Wide Potential Window

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO₂ Electrolysis to Formate in Ultra‐Wide Potential Window

Exploring precursor effect in in-situ reconstruction of Bi metal organic-frameworks during CO2 electroreduction reaction to tailor formate selectivity towards 100%

Boosting and stabilizing the electrocatalytic reduction of carbon dioxide on Bi2O2CO3 via surface modification with p-aminobenzoic acid

Contact Info

Product

Resources

About

Active-site stabilized Bi metal–organic framework-based catalyst for highly active and selective electroreduction of CO2 to formate over a wide potential window

Abstract: The fabricated bismuth-terephthalate framework (Bi-BDC) showed a high efficiency for electroreduction of CO2 to formate over a wide potential window. Bi-BDC gradually evolved to Bi2O2CO3 after a long-term reaction but remained an excellent activity.

Cited by 6 publications

References 59 publications

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO2 Electrolysis to Formate in Ultra‐Wide Potential Window

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO2 Electrolysis to Formate in Ultra‐Wide Potential Window

Exploring precursor effect in in-situ reconstruction of Bi metal organic-frameworks during CO2 electroreduction reaction to tailor formate selectivity towards 100%

Boosting and stabilizing the electrocatalytic reduction of carbon dioxide on Bi2O2CO3 via surface modification with p-aminobenzoic acid

Contact Info

Product

Resources

About

Active-site stabilized Bi metal–organic framework-based catalyst for highly active and selective electroreduction of CO₂ to formate over a wide potential window

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO₂ Electrolysis to Formate in Ultra‐Wide Potential Window

cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO₂ Electrolysis to Formate in Ultra‐Wide Potential Window