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Journal ArticleDOI

CO2 electroreduction to ethylene via hydroxide-mediated copper catalysis at an abrupt interface

TLDR
A copper electrocatalyst at an abrupt reaction interface in an alkaline electrolyte reduces CO2 to ethylene with 70% faradaic efficiency at a potential of −0.55 volts versus a reversible hydrogen electrode (RHE).
Abstract
Carbon dioxide (CO 2 ) electroreduction could provide a useful source of ethylene, but low conversion efficiency, low production rates, and low catalyst stability limit current systems. Here we report that a copper electrocatalyst at an abrupt reaction interface in an alkaline electrolyte reduces CO 2 to ethylene with 70% faradaic efficiency at a potential of −0.55 volts versus a reversible hydrogen electrode (RHE). Hydroxide ions on or near the copper surface lower the CO 2 reduction and carbon monoxide (CO)–CO coupling activation energy barriers; as a result, onset of ethylene evolution at −0.165 volts versus an RHE in 10 molar potassium hydroxide occurs almost simultaneously with CO production. Operational stability was enhanced via the introduction of a polymer-based gas diffusion layer that sandwiches the reaction interface between separate hydrophobic and conductive supports, providing constant ethylene selectivity for an initial 150 operating hours.

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In Situ Carbon Encapsulation Confined Nickel-Doped Indium Oxide Nanocrystals for Boosting CO2 Electroreduction to the Industrial Level

TL;DR: In this paper, the reaction current density for the CO2 electroreduction to formate of indium-based catalysts cannot meet the needs of industrial applications, and the nickel-doped indium oxide nanocrystals (...
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Selective electrochemical reduction of carbon dioxide to ethylene on a copper hydroxide nitrate nanostructure electrode

TL;DR: Benefiting from the defects and rough surface, this electrode exhibited a high selectivity for C2H4 production with a faradaic efficiency (FE) of 31.80% and a high stability for 20 h.
Journal ArticleDOI

Synthesis of Aliphatic Acids from CO2 and Water at Efficiencies Close to the Photosynthesis Limit Using Mixed Copper and Iron Oxide Films

TL;DR: In this article, uniformly mixed copper and iron oxide (CuO/CuFeO2; CFO) bulky heterojuncti cation was shown to be useful for photocatalytic conversion of CO2 and water into value-added chemicals.
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Zn-Doped Cu(100) facet with efficient catalytic ability for the CO2 electroreduction to ethylene.

TL;DR: This work reveals that the doping of Cu with transition metals has great potential in promoting the electrochemical CO2-to-C2H4 conversion and provides deep insights into the formation mechanisms of C 2H4, thus guiding the design of Cu-based bimetallic catalysts for its effective production.
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Technical perspective of carbon capture, utilization, and storage

TL;DR: In this article , the authors present the capacity and absorption rate of various chemical solvents and the Faradaic conversion efficiencies for various CO 2 reduction products are used to describe efficiency improvements.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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From ultrasoft pseudopotentials to the projector augmented-wave method

TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

TL;DR: An improved way of estimating the local tangent in the nudged elastic band method for finding minimum energy paths is presented, and examples given where a complementary method, the dimer method, is used to efficiently converge to the saddle point.
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A grid-based Bader analysis algorithm without lattice bias

TL;DR: This paper describes how accurate off-lattice ascent paths can be represented with respect to the grid points, and maintains the efficient linear scaling of an earlier version of the algorithm, and eliminates a tendency for the Bader surfaces to be aligned along the grid directions.
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