☆ 4.8 Article

Selectivity of Electrochemical CO2 Reduction toward Ethanol and Ethylene: The Key Role of Surface-Active Hydrogen

ACS CATALYSIS (2023)

Related references

Note: Only part of the references are listed.

Article Chemistry, Multidisciplinary

Engineering Surface Oxophilicity of Copper for Electrochemical CO2 Reduction to Ethanol

Minhan Li et al.

Summary: This study proposes a strategy to regulate the surface oxophilicity for enhanced C2H5OH production in CO2RR using a Cu-Sn bimetallic system. The experimental results show that Cu-Sn bimetallic catalysts have improved C2H5OH selectivity. The study also suggests that the surface oxophilicity of Cu-Sn catalysts plays a crucial role in guiding the reaction pathways.

ADVANCED SCIENCE (2023)

Add to Collection

Article Chemistry, Multidisciplinary

p-d Orbital Hybridization Induced by p-Block Metal-Doped Cu Promotes the Formation of C2+ Products in Ampere-Level CO2 Electroreduction

Pengsong Li et al.

Summary: CuGa catalyst promotes efficient electrocatalysis of CO2 to C2+ products at high current density through p-d orbital hybridization. The p-d hybridization of Cu and Ga enriches reactive sites, enhances the binding strength of the *CO intermediate, and facilitates C-C coupling. This strategy can be extended to other p-block metal-doped Cu catalysts to further enhance CO2 electroreduction for C2+ production. This is the first study to utilize p-d orbital hybridization interaction in a p block metal-doped Cu catalyst to promote electrochemical CO2 reduction to generate C2+ products.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2023)

Add to Collection

Article Multidisciplinary Sciences

In-situ constructed Cu/CuNC interfaces for low-overpotential reduction of CO2 to ethanol

Yan Yang et al.

Summary: The electronically asymmetric Cu-Cu/Cu-N-C interface site enhances the adsorption of *CO intermediates and lowers the reaction barrier of C-C coupling in electrochemical CO2 reduction (ECR), enabling efficient C-C coupling at low overpotential. The high-density Cu/CuNC interface sites (ER-Cu/CuNC) catalyst boosts the electrocatalytic CO2-to-ethanol conversion with a Faradaic efficiency toward C2+ of 60.3% (FEethanol of 55%) at a low overpotential of -0.35 V. These findings provide new insights into the efficient conversion of CO2 to C2+ products.

NATIONAL SCIENCE REVIEW (2023)

Add to Collection

Article Materials Science, Multidisciplinary

Theory-guided synthesis of heterostructured Cu@Cu0.4W0.6 catalyst towards superior electrochemical reduction of CO2 to C2 products

Dong Xiang et al.

Summary: A heterostructured Cu@Cu0.4W0.6 catalyst with enhanced selectivity and activity towards C2 products in CO2 reduction was designed and prepared. The Cu@Cu0.4W0.6 catalyst showed a spherical shape with a size of 15.6 +/- 0.5 nm, and more electron transfer from Cu to W compared to pure Cu0.4W0.6 catalyst. The Cu@Cu0.4W0.6 catalyst exhibited a Faradaic efficiency of 60.9% and a partial current density of 121.8 mA cm-2 at-1.0 V (vs. RHE) for C2 products in CO2 reduction.

MATERIALS TODAY PHYSICS (2023)

Add to Collection

Article Chemistry, Multidisciplinary

Electrocatalytic CO2 reduction to ethylene over ZrO2/Cu-Cu2O catalysts in aqueous electrolytes

Pan-Pan Guo et al.

Summary: In this study, Cu-Zr bimetallic catalysts were prepared and evaluated for CO2 reduction reaction. Among them, the Cu-Zr catalyst showed excellent ethene production rate and high current density in 0.1 M KCl electrolyte. Experimental and computational analysis revealed that the interface interaction between Zr and Cu contributes to the enhanced performance of the catalyst.

GREEN CHEMISTRY (2022)

Add to Collection

Article Chemistry, Physical

Perspective on Theoretical Models for CO2 Electrochemical Reduction

Xu Zhang et al.

Summary: This perspective summarizes recent progress in simulating CO2RR, including both thermodynamic and kinetic aspects, as well as the application of machine learning for catalyst design. It highlights the importance of theoretical computations and simulations in electrochemical reduction of CO2.

JOURNAL OF PHYSICAL CHEMISTRY C (2022)

Add to Collection

Article Chemistry, Physical

Pathways for the Formation of C2+Productsunder Alkaline Conditions during the Electrochemical Reduction of CO2

Joseph A. Gauthier et al.

Summary: This study investigates the mechanism of CO2RR under experimental conditions and reveals the differences in activation barriers between alkaline and acidic pathways, as well as the kinetic favorability of COH formation under high overpotential.

ACS ENERGY LETTERS (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Methanol Synthesis from CO2/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search

Yun-Fei Shi et al.

Summary: In this study, large-scale machine learning atomic simulation combined with microkinetics-guided machine learning pathway search was used to explore the reaction pathways for CO2 and CO hydrogenation on Cu/ZnO/Al2O3 catalysts for methanol synthesis. The research findings indicate that CO2 hydrogenation occurs exclusively at the step-edge of the (211) surface, while CO hydrogenation has limited effect on the reaction kinetics. Moreover, it was observed that Zn decorates at the step-edge of the Cu(211) surface, but higher coverages of Zn poison the catalyst.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

Add to Collection

Article Multidisciplinary Sciences

Boosting electrocatalytic CO2-to-ethanol production via asymmetric C-C coupling

Pengtang Wang et al.

Summary: The authors demonstrate the efficient conversion of CO2 to ethanol using a silver-modified copper-oxide catalyst. By optimizing the coordination number and oxide state of the surface Cu sites, the catalyst accelerates and steers the reaction pathway for ethanol production.

NATURE COMMUNICATIONS (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Dynamic Stability of Copper Single-Atom Catalysts under Working Conditions

Xiaowan Bai et al.

Summary: This study evaluates the dynamic stability of single copper atom catalysts under realistic reaction conditions using a constant-potential hybrid-solvation dynamic model. The adsorption of H is found to be the key driving force for the leaching of copper single atoms from the catalyst surface. The study provides a fundamental understanding of the dynamic stability of Cu single-atom catalysts and calls for a reassessment of the stability of currently reported single-atom catalysts considering realistic reaction conditions.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

Add to Collection

Article Chemistry, Physical

Electrochemical carbon dioxide reduction on copper-zinc alloys: ethanol and ethylene selectivity analysis

Yeji Baek et al.

Summary: The electrochemical conversion of CO2 to ethanol and ethylene is a promising method for addressing global climate change. CuZn alloys as catalysts enhance the ethanol selectivity and achieve high ethanol production efficiency.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

Add to Collection

Article Chemistry, Multidisciplinary

Synergized Cu/Pb Core/Shell Electrocatalyst for High-Efficiency CO2 Reduction to C2+ Liquids

Pengtang Wang et al.

Summary: The synergistic effect between Cu core and ultrathin Pb shell in Cu/Pb core/shell nanocrystals significantly enhances the electrocatalytic reduction of CO2 toward C2+ liquid products, leading to higher Faradaic efficiency and selectivity. This study highlights the importance of synergistic effect in the design of efficient Cu-based catalysts for CO2 reduction.

ACS NANO (2021)

Add to Collection

Article Chemistry, Physical

Efficient Electrocatalytic CO2 Reduction to C2+ Alcohols at Defect-Site-Rich Cu Surface

Zhengxiang Gu et al.

Summary: A rational strategy was demonstrated to achieve a high faradaic efficiency towards C2+ alcohols by constructing copper catalysts with stepped sites in a CO-rich environment. The defect-site-rich copper catalyst enabled the formation of C2+ alcohols with partial current densities of > 100 mA.cm(-2) and achieved a stable alcohol faradaic efficiency of around 60% during a continuous 30-hour operation.

JOULE (2021)

Add to Collection

Review Chemistry, Physical

Electrochemical CO2 Reduction to Ethanol with Copper-Based Catalysts

Dilan Karapinar et al.

Summary: This Review highlights the importance and challenges of electrochemical CO2 reduction for ethanol production, categorizing and evaluating the performance of copper-based catalysts to aid in the design of more efficient catalysts for selective ethanol formation.

ACS ENERGY LETTERS (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Product-Specific Active Site Motifs of Cu for Electrochemical CO2 Reduction

Chenyuan Zhu et al.

Summary: Researchers designed and fabricated nine large-area single-crystal copper foils to study the electrocatalytic CO2 reduction. By using GIXRD and EBSD, they tracked the top-surface reconstructions of copper and extracted three distinct structural descriptors to reveal the structure-function relationships in CO2R.

CHEM (2021)

Add to Collection

Article Chemistry, Physical

High Facets on Nanowrinkled Cu via Chemical Vapor Deposition Graphene Growth for Efficient CO2 Reduction into Ethanol

Ju Ye Kim et al.

Summary: The study successfully synthesized a wrinkled Cu catalyst with high facets using graphene as a guiding material, achieving high ethanol selectivity and productivity. The unique atomic arrangement of the wrinkled Cu film, particularly the (310) facet, played a key role in facilitating ethanol production with a low C-C coupling barrier and preferred reaction path.

ACS CATALYSIS (2021)

Add to Collection

Article Chemistry, Physical

Atomic nickel cluster decorated defect-rich copper for enhanced C2 product selectivity in electrocatalytic CO2 reduction

Xiaolong Zhang et al.

Summary: This work introduces a coordination enabled galvanic replacement method to decorate atomic Ni clusters on defect-rich Cu surface, resulting in significant enhancement of C2 products production in electrocatalytic CO2 reduction. With a surface Ni/Cu ratio of 0.82 %, a 7-fold increase in selectivity for C2 products was observed compared to pristine Cu, attributed to the chemisorption of CO2 on Ni decorated surfaces changing the rate determining step for *CO formation. The catalytic mechanism demonstrated in the Cu-Ni system points to new directions for the development of advanced bimetallic electrocatalysts for producing multi-carbon materials from CO2 reduction.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

Add to Collection

Article Chemistry, Multidisciplinary

CdS-Enhanced Ethanol Selectivity in Electrocatalytic CO2 Reduction at Sulfide-Derived Cu-Cd

Venkata Sai Sriram Mosali et al.

Summary: The development of new sulfide-derived copper-cadmium catalysts has shown promising results in enhancing the selectivity and efficiency of ethanol formation at low potentials, with a faradaic efficiency of around 32% and a relatively low current density. The presence of phase boundaries between CdS and Cu+/Cu sites in the SD-CuCd2 catalyst plays a key role in improving the performance.

CHEMSUSCHEM (2021)

Add to Collection

Review Chemistry, Physical

Catalyst Design for Electrochemical Reduction of CO2 to Multicarbon Products

Yuanyuan Xue et al.

Summary: Electrochemical reduction of CO2 driven by renewable energy is an effective route towards carbon neutralization, but selective reduction to multicarbon products remains a challenge due to low selectivity, poor yield, and high overpotential. Adjusting catalyst structure and composition is crucial in improving the performance of CO2RR.

SMALL METHODS (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Elucidating the structure-dependent selectivity of CuZn towards methane and ethanol in CO2 electroreduction using tailored Cu/ZnO precatalysts

Seyedeh Behnaz Varandili et al.

Summary: Understanding the compositional and structural features of catalysts controlling selectivity is crucial in chemical reactions. This study leveraged tailored Cu/ZnO precatalysts to identify intrinsic features of CuZn catalysts for CO2 reduction, revealing Cu@CuZn core@shell structures selective for methane and ethanol. Surface alloying and metallic Zn concentration were found to improve ethanol selectivity, with density functional theory explaining the selectivity based on electronic and tandem effects. These findings contribute to the rational tuning of bimetallic catalysts for CO2 reduction towards increased selectivity, especially for alcohols.

CHEMICAL SCIENCE (2021)

Add to Collection

Article Chemistry, Physical

Electrochemical CO2 reduction: water/catalyst interface versus polymer/catalyst interface

Yixin Ouyang et al.

Summary: This study compared the electrochemical reduction of carbon dioxide at the aqueous solution/copper interface and polymer electrolyte/copper interface, revealing a fundamental understanding of the superiority of APEECs. Advanced simulations showed that the polymer electrolyte/copper interface exhibited a higher turnover frequency, contributing to an increased conversion current density of APEECs.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

Add to Collection

Review Chemistry, Physical

Electrochemical CO2 reduction to ethanol: from mechanistic understanding to catalyst design

Tu N. Nguyen et al.

Summary: Electrochemical reduction of CO2 to ethanol is a promising solution for greenhouse gas mitigation and utilizing intermittent renewable energy sources. Challenges lie in low energy efficiency, inferior stability, and discouraging selectivity in current electrocatalytic systems.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

Add to Collection

Article Chemistry, Physical

Atomic-thin hexagonal CuCo nanocrystals with d-band tuning for CO2 reduction

Yibo Yan et al.

Summary: The study focuses on using ultrathin CuCo nanocrystals for CO2 reduction to ethylene, achieving a high faradaic efficiency. By tailoring the d-band states and synergistic cooperation between Cu and Co, the activity can be boosted while lowering energy barriers for the reaction.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

Add to Collection

Article Electrochemistry

First-principles microkinetics simulations of electrochemical reduction of CO2 over Cu catalysts

Bart Zijlstra et al.

ELECTROCHIMICA ACTA (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Grain-Boundary-Rich Copper for Efficient Solar-Driven Electrochemical CO2 Reduction to Ethylene and Ethanol

Zhiqiang Chen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Add to Collection

Article Energy & Fuels

The role of in situ generated morphological motifs and Cu(i) species in C2+ product selectivity during CO2 pulsed electroreduction

Rosa M. Aran-Ais et al.

NATURE ENERGY (2020)

Add to Collection

Article Energy & Fuels

Efficient electrically powered CO2-to-ethanol via suppression of deoxygenation

Xue Wang et al.

NATURE ENERGY (2020)

Add to Collection

Article Energy & Fuels

Highly selective electrocatalytic CO2reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper

Haiping Xu et al.

NATURE ENERGY (2020)

Add to Collection

Article Chemistry, Multidisciplinary

LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis fromprojector-augmented-wave-baseddensity-functional theory

Ryky Nelson et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Electrodeposited Cu-Pd bimetallic catalysts for the selective electroreduction of CO2 to ethylene

Ruting Feng et al.

GREEN CHEMISTRY (2020)

Add to Collection

Review Chemistry, Multidisciplinary

Electrocatalytic CO2 Reduction to Fuels: Progress and Opportunities

Joaquin Resasco et al.

TRENDS IN CHEMISTRY (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Explaining the Incorporation of Oxygen Derived from Solvent Water into the Oxygenated Products of CO Reduction over Cu

Ezra L. Clark et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Binding Site Diversity Promotes CO2 Electroreduction to Ethanol

Yuguang C. Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Add to Collection

Review Chemistry, Multidisciplinary

Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte

Stephanie Nitopi et al.

CHEMICAL REVIEWS (2019)

Add to Collection

Review Energy & Fuels

Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels

Yuvraj Y. Birdja et al.

NATURE ENERGY (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Electroreduction of CO2 on Single-Site Copper-Nitrogen-Doped Carbon Material: Selective Formation of Ethanol and Reversible Restructuration of the Metal Sites

Dilan Karapinar et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

Add to Collection

Review Chemistry, Multidisciplinary

Electrolytic CO2 Reduction in a Flow Cell

David M. Weekes et al.

ACCOUNTS OF CHEMICAL RESEARCH (2018)

Add to Collection

Article Chemistry, Physical

Reducing the onset potential of CO2 electroreduction on CuRu bimetallic particles

Joshua T. Billy et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2018)

Add to Collection

Article Engineering, Chemical

General Techno-Economic Analysis of CO2 Electrolysis Systems

Matthew Jouny et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2018)

Add to Collection

Article Chemistry, Multidisciplinary

Substantial Impact of Charge on Electrochemical Reactions of Two Dimensional Materials

Donghoon Kim et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Add to Collection

Article Chemistry, Multidisciplinary

Electrochemical CO Reduction Builds Solvent Water into Oxygenate Products

Yanwei Lum et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Add to Collection

Review Chemistry, Physical

What Should We Make with CO2 and How Can We Make It?

Oleksandr S. Bushuyev et al.

JOULE (2018)

Add to Collection

Article Chemistry, Multidisciplinary

Electrochemical CO2 Reduction over Compressively Strained CuAg Surface Alloys with Enhanced Multi-Carbon Oxygenate Selectivity

Ezra L. Clark et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Add to Collection

Review Chemistry, Physical

Materials for solar fuels and chemicals

Joseph H. Montoya et al.

NATURE MATERIALS (2017)

Add to Collection

Article Multidisciplinary Sciences

Engineering Cu surfaces for the electrocatalytic conversion of CO2: Controlling selectivity toward oxygenates and hydrocarbons

Christopher Hahn et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)

Add to Collection

Article Multidisciplinary Sciences

Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K

Tao Cheng et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)

Add to Collection

Article Multidisciplinary Sciences

Understanding trends in electrochemical carbon dioxide reduction rates

Xinyan Liu et al.

NATURE COMMUNICATIONS (2017)

Add to Collection

Article Chemistry, Physical

Electrochemical Reduction of CO2 into Multicarbon Alcohols on Activated Cu Mesh Catalysts: An Identical Location (IL) Study

Motiar Rahaman et al.

ACS CATALYSIS (2017)

Add to Collection

Article Chemistry, Multidisciplinary

Spectroscopic Observation of a Hydrogenated CODimer Intermediate During CO Reduction on Cu(100) Electrodes

Elena Perez-Gallent et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

Add to Collection

Article Chemistry, Physical

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

Kiran Mathew et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Add to Collection

Article Chemistry, Physical

Enhanced selectivity for the electrochemical reduction of CO2 to alcohols in aqueous solution with nanostructured Cu-Au alloy as catalyst

Falong Jia et al.

JOURNAL OF POWER SOURCES (2014)

Add to Collection

Article Chemistry, Multidisciplinary

Theoretical Considerations on the Electroreduction of CO to C2 Species on Cu(100) Electrodes

Federico Calle-Vallejo et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Add to Collection

Article Chemistry, Multidisciplinary

Selectivity of CO2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

Xiaowa Nie et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Add to Collection

Article Chemistry, Multidisciplinary

Analytic Projection From Plane-Wave and PAW Wavefunctions and Application to Chemical-Bonding Analysis in Solids

Stefan Maintz et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)

Add to Collection

Article Chemistry, Multidisciplinary

New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces

Kendra P. Kuhl et al.

ENERGY & ENVIRONMENTAL SCIENCE (2012)

Add to Collection

Article Chemistry, Physical

Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation

L. C. Grabow et al.

ACS CATALYSIS (2011)

Add to Collection

Article Chemistry, Physical

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Add to Collection

Review Chemistry, Analytical

A review of the aqueous electrochemical reduction of CO2 to hydrocarbons at copper

M. Gattrell et al.

JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2006)

Add to Collection

© Peeref 2019-2024. All rights reserved.