Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper

Xu, Haiping; Rebollar, Dominic; He, Haiying; Chong, Lina; Liu, Yuzi; Liu, Cong; Sun, Cheng-Jun; Li, Tao; Muntean, John V.; Winans, Randall E.; Liu, Di-Jia; Xu, Tao

doi:10.1038/s41560-020-0666-x

Title: Highly selective electrocatalytic CO₂ reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper

Abstract

Direct electrochemical conversion of CO₂ to ethanol offers a promising strategy of lowering CO₂ emission while storing energy from renewable electricity. However, current electrocatalysts offer only limited selectivity toward ethanol. Here we report a copper catalyst synthesized by a unique Cu-Li amalgm method over a commercial carbon support that achieved Faradaic efficiency (FE) higher than 91% at -0.7 V (RHE) and the active potential as low as -0.4 V (RHE) during direct electrocatalytic CO₂-to-ethanol conversion. The catalyst also demonstrated stability over an extended period of operation. A strong correlation between the catalytic selectivity and the initial Cu atoms dispersion was found and Operando X-ray absorption spectroscopy identified a dynamic and reversible transformation from atomically dispersed copper atoms to Cu_n (n = 3 and 4) under the electrochemical reaction. Frist-principles calculations further elucidate the possible catalytic mechanism of CO₂ reduction over Cu_n.

Authors:

^[1]; Rebollar, Dominic ^[1];

^[2]; Chong, Lina ^[3];

^[3];

^[3]; Sun, Cheng-Jun ^[3];

^[4]; Muntean, John V. ^[3];

^[3];

^[5];

^[6]

Argonne National Lab. (ANL), Lemont, IL (United States); Northern Illinois Univ., DeKalb, IL (United States)
Valparaiso Univ., IN (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)
Northern Illinois Univ., DeKalb, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)
Argonne National Lab. (ANL), Lemont, IL (United States); Univ. of Chicago, IL (United States)
Northern Illinois Univ., DeKalb, IL (United States)

Publication Date:: Mon Jul 27 00:00:00 EDT 2020

Research Org.:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

OSTI Identifier:: 1671779

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Nature Energy

Additional Journal Information:: Journal Volume: 5; Journal Issue: 8; Journal ID: ISSN 2058-7546

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; CO2; conversion; ethanol; electrochemical; catalysis

Citation Formats


                    Xu, Haiping, Rebollar, Dominic, He, Haiying, Chong, Lina, Liu, Yuzi, Liu, Cong, Sun, Cheng-Jun, Li, Tao, Muntean, John V., Winans, Randall E., Liu, Di-Jia, and Xu, Tao. Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper.  United States: N. p., 2020. 
Web.  doi:10.1038/s41560-020-0666-x.

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                    Xu, Haiping, Rebollar, Dominic, He, Haiying, Chong, Lina, Liu, Yuzi, Liu, Cong, Sun, Cheng-Jun, Li, Tao, Muntean, John V., Winans, Randall E., Liu, Di-Jia, & Xu, Tao. Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper.  United States.  https://doi.org/10.1038/s41560-020-0666-x

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                    Xu, Haiping, Rebollar, Dominic, He, Haiying, Chong, Lina, Liu, Yuzi, Liu, Cong, Sun, Cheng-Jun, Li, Tao, Muntean, John V., Winans, Randall E., Liu, Di-Jia, and Xu, Tao. Mon .  
"Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper".  United States.  https://doi.org/10.1038/s41560-020-0666-x.  https://www.osti.gov/servlets/purl/1671779.

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@article{osti_1671779,

  title        = {Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper},

  author       = {Xu, Haiping and Rebollar, Dominic and He, Haiying and Chong, Lina and Liu, Yuzi and Liu, Cong and Sun, Cheng-Jun and Li, Tao and Muntean, John V. and Winans, Randall E. and Liu, Di-Jia and Xu, Tao},

  abstractNote = {Direct electrochemical conversion of CO2 to ethanol offers a promising strategy of lowering CO2 emission while storing energy from renewable electricity. However, current electrocatalysts offer only limited selectivity toward ethanol. Here we report a copper catalyst synthesized by a unique Cu-Li amalgm method over a commercial carbon support that achieved Faradaic efficiency (FE) higher than 91% at -0.7 V (RHE) and the active potential as low as -0.4 V (RHE) during direct electrocatalytic CO2-to-ethanol conversion. The catalyst also demonstrated stability over an extended period of operation. A strong correlation between the catalytic selectivity and the initial Cu atoms dispersion was found and Operando X-ray absorption spectroscopy identified a dynamic and reversible transformation from atomically dispersed copper atoms to Cun (n = 3 and 4) under the electrochemical reaction. Frist-principles calculations further elucidate the possible catalytic mechanism of CO2 reduction over Cun.},

  doi          = {10.1038/s41560-020-0666-x},

  journal      = {Nature Energy},

  number       = 8,

  volume       = 5,

  place        = {United States},

  year         = {Mon Jul 27 00:00:00 EDT 2020},

  month        = {Mon Jul 27 00:00:00 EDT 2020}

}

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Title: Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

First principles studies on the growth of small Cu clusters and the dissociative chemisorption of H 2 journal, April 2006

CO 2 reduction to acetate in mixtures of ultrasmall (Cu) n ,(Ag) m bimetallic nanoparticles journal, December 2017

Inside Cover: Ultra-Tuning of the Aperture Size in Stiffened ZIF-8_Cm Frameworks with Mixed-Linker Strategy for Enhanced CO 2 /CH 4 Separation (Angew. Chem. Int. Ed. 1/2019) journal, December 2018

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Rhenium(I) Phosphazane Complexes for Electrocatalytic CO 2 Reduction journal, March 2019

Electrochemical Reduction of CO 2 Using Copper Single-Crystal Surfaces: Effects of CO* Coverage on the Selective Formation of Ethylene journal, February 2017

Electrochemical Reduction of CO 2 at Functionalized Au Electrodes journal, February 2017

Cu-based nanocatalysts for electrochemical reduction of CO2 journal, August 2018

Identification of single-site gold catalysis in acetylene hydrochlorination journal, March 2017

Amino acid modified copper electrodes for the enhanced selective electroreduction of carbon dioxide towards hydrocarbons journal, January 2016

Catalyst electro-redeposition controls morphology and oxidation state for selective carbon dioxide reduction journal, January 2018

Amorphizing of Cu Nanoparticles toward Highly Efficient and Robust Electrocatalyst for CO 2 Reduction to Liquid Fuels with High Faradaic Efficiencies journal, February 2018

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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal, May 1994

Synthesis of Supported Platinum Nanoparticles from Li−Pt Solid Solution journal, February 2010

Achieving Highly Efficient, Selective, and Stable CO 2 Reduction on Nitrogen-Doped Carbon Nanotubes journal, April 2015

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Carbon-Negative Biofuels from Low-Input High-Diversity Grassland Biomass journal, December 2006

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Title: Highly selective electrocatalytic CO₂ reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper

Generalized Gradient Approximation Made Simple
journal, October 1996

First principles studies on the growth of small Cu clusters and the dissociative chemisorption of $H_{2}$
journal, April 2006

CO ₂ reduction to acetate in mixtures of ultrasmall (Cu) _n ,(Ag) _m bimetallic nanoparticles
journal, December 2017

Inside Cover: Ultra-Tuning of the Aperture Size in Stiffened ZIF-8_Cm Frameworks with Mixed-Linker Strategy for Enhanced CO ₂ /CH ₄ Separation (Angew. Chem. Int. Ed. 1/2019)
journal, December 2018

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Rhenium(I) Phosphazane Complexes for Electrocatalytic CO ₂ Reduction
journal, March 2019

Electrochemical Reduction of CO ₂ Using Copper Single-Crystal Surfaces: Effects of CO* Coverage on the Selective Formation of Ethylene
journal, February 2017

Electrochemical Reduction of CO ₂ at Functionalized Au Electrodes
journal, February 2017

Cu-based nanocatalysts for electrochemical reduction of CO2
journal, August 2018

Identification of single-site gold catalysis in acetylene hydrochlorination
journal, March 2017

Amino acid modified copper electrodes for the enhanced selective electroreduction of carbon dioxide towards hydrocarbons
journal, January 2016

Catalyst electro-redeposition controls morphology and oxidation state for selective carbon dioxide reduction
journal, January 2018

Amorphizing of Cu Nanoparticles toward Highly Efficient and Robust Electrocatalyst for CO ₂ Reduction to Liquid Fuels with High Faradaic Efficiencies
journal, February 2018

Selective Electrochemical Reduction of Carbon Dioxide to Ethylene and Ethanol on Copper(I) Oxide Catalysts
journal, March 2015

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994

Synthesis of Supported Platinum Nanoparticles from Li−Pt Solid Solution
journal, February 2010

Achieving Highly Efficient, Selective, and Stable CO ₂ Reduction on Nitrogen-Doped Carbon Nanotubes
journal, April 2015

Activity Descriptors for CO ₂ Electroreduction to Methane on Transition-Metal Catalysts
journal, January 2012

Active sites of copper-complex catalytic materials for electrochemical carbon dioxide reduction
journal, January 2018

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
journal, January 2010

Atomically dispersed Ni(i) as the active site for electrochemical CO2 reduction
journal, February 2018

Recycling of carbon dioxide to methanol and derived products – closing the loop
journal, January 2014

Dopant-induced electron localization drives CO2 reduction to C2 hydrocarbons
journal, July 2018

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Synergistic geometric and electronic effects for electrochemical reduction of carbon dioxide using gold–copper bimetallic nanoparticles
journal, September 2014

A handful of carbon
journal, May 2007

Copper nanoparticle ensembles for selective electroreduction of CO ₂ to C ₂ –C ₃ products
journal, September 2017

High–performance Activated Carbons Prepared by KOH Activation of Gulfweed for Supercapacitors
journal, February 2018

New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
journal, January 2012

Understanding trends in electrochemical carbon dioxide reduction rates
journal, May 2017

Sulfur-Modulated Tin Sites Enable Highly Selective Electrochemical Reduction of CO2 to Formate
journal, December 2017

Tin Oxide Dependence of the CO ₂ Reduction Efficiency on Tin Electrodes and Enhanced Activity for Tin/Tin Oxide Thin-Film Catalysts
journal, January 2012

FeOx-supported platinum single-atom and pseudo-single-atom catalysts for chemoselective hydrogenation of functionalized nitroarenes
journal, December 2014

Isolated Ni single atoms in graphene nanosheets for high-performance CO ₂ reduction
journal, January 2018

Carbon-Negative Biofuels from Low-Input High-Diversity Grassland Biomass
journal, December 2006

Covalent organic frameworks comprising cobalt porphyrins for catalytic CO ₂ reduction in water
journal, August 2015

Use of X-ray Absorption Spectroscopy To Speciate Manganese in Airborne Particulate Matter from Five Counties Across the United States
journal, March 2012