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Grain boundary density effect for highly selective C2+ production from CO2 reduction: Polycrystalline Cu electrocatalyst as a paradigm

CO2還元からの高選択的C2+生成における粒界密度効果:多結晶銅電極触媒をパラダイムとして (AI 翻訳)

Yizhu Qiao, Xixiong Jin, Bohan A, Zixuan Wei, Min Wang, Weiren Chen, Xi huang, Lingxia Zhang, Jianlin Shi

Science Data Bankデータセット2026-07-16#CCUSOrigin: Global対象セクター: chemicals
DOI: 10.57760/sciencedb.cjcatal.00007
原典: https://doi.org/10.57760/sciencedb.cjcatal.00007

🤖 gxceed AI 要約

日本語

銅系電極触媒における粒界密度の増加がC2+選択性向上に寄与することを発見。最適な粒界密度151 μm⁻¹でC2+ファラデー効率88.06%を達成し、*CO被覆率増大と局所アルカリ環境強化によりC2+生成経路を促進する機構を解明。

English

This study demonstrates that increasing grain boundary density in polycrystalline Cu catalysts enhances C2+ selectivity from CO2 reduction. An optimal boundary density of 151 μm⁻¹ yields 88.06% Faradaic efficiency for C2+ products. The mechanism involves increased *CO coverage and localized alkaline environment favoring the *CO-*COH coupling pathway.

Unofficial AI-generated summary based on the public title and abstract. Not an official translation.

📝 gxceed 編集解説 — Why this matters

日本のGX文脈において

本研究成果は、日本のCCUS技術開発におけるCO2資源化プロセスの効率向上に寄与する可能性がある。特に、触媒設計の指針を提供することで、産業界のCO2削減目標達成に資する。

In the global GX context

This work provides a mechanistic understanding and design strategy for Cu-based catalysts in CO2 electroreduction, advancing global efforts in carbon capture and utilization (CCU) as part of decarbonization pathways. The correlation between grain boundary density and selectivity offers a practical lever for catalyst optimization.

👥 読者別の含意

🔬研究者:The paper establishes a clear correlation between grain boundary density, coordination number, and C2+ selectivity, providing a design principle for Cu catalysts.

🏛政策担当者:Supports policy incentives for CCU technologies by demonstrating high-efficiency CO2 conversion to valuable C2+ chemicals.

📄 Abstract(原文)

Grain boundaries (GBs) in Cu-based electrocatalysts have been recognized as efficient sites producing multi-carbon chemicals (C2+) from CO2 reduction, yet the effective GB regulation strategy for targeted activity enhancement is still unavailable to date, and consequently their catalytic mechanism remains unclear. Herein, polycrystalline Cu catalysts (p-Cu) with varying GB densities were fabricated by electrochemical reconstruction of mesoporous Cu2O nanocrystals with different primary particle sizes. It is discovered that increasing GB density results in correspondingly decreased coordination number (CN) of Cu sites, which in turn contributes to the progressive enhancement of C2+ selectivity over the p-Cu catalysts. Specifically, the determined optimal GB density of 151 μm–1, corresponding to a Cu CN of 6.36, delivers a remarkably augmented C2+ Faradaic efficiency of up to 88.06 % (70.55 % for C2H4) and a C2+ partial current density as high as 722.7 mA cm–2, rendering the p-Cu ranked among the best state-of-art catalysts. Mechanism explorations disclose that increased GB density leads to lowered CN Cu sites, which is responsible for the largely amplified *CO coverage together with increased *COatop/*CObridge ratio, and enhanced localized alkaline environment, thereby boosting an energy-efficient *CO-*COH coupling pathway to produce C2+. This work presents a facile regulation strategy of GB density in Cu catalysts, and on this basis establishes the correlation among GB density, the CN of Cu sites, and the selectivity of C2+ products.

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