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Solution and Active Site Speciation Drive Selectivity for Electrocatalytic Reactive Carbon Capture in Diethanolamine Over Ni-N-C Catalysts

ジエタノールアミン中でのNi-N-C触媒による電極触媒反応性炭素回収における選択性を駆動する溶液および活性サイトのスペシエーション (AI 翻訳)

Dominic Ross, Yulan Han, Hui‐Yun Jeong, Jenna Ynzunza, Robert Lavroff, Avishek Banerjee, Aditya Prajapati, Carlos G. Morales‐Guio, Jesus Velazquez, Anastassia Alexandrova, Christopher Hahn

ECS Meeting Abstractsジャーナル2026-07-07#CCUSOrigin: US対象セクター: chemicals
DOI: 10.1149/ma2026-01582774mtgabs
原典: https://doi.org/10.1149/ma2026-01582774mtgabs

🤖 gxceed AI 要約

日本語

本論文は、アミン系吸収剤を用いた電気化学的CO2回収・変換（RCC）において、Ni-N-C単原子触媒がCOへの選択的変換を促進する機構を解明。計算と実験の連携により、反応経路が電位依存性であり、低過電圧では間接的なC-N結合開裂が支配的となることを示した。また、触媒の不安定性が高過電圧で生じることを発見し、触媒設計と溶液組成の最適化が重要であると結論づけた。

English

This paper investigates electrocatalytic reactive carbon capture (RCC) using Ni-N-C single atom catalysts to convert captured CO2-amine adducts to CO. Combining computational and experimental approaches, it reveals that reaction pathways are potential-dependent, with an indirect C-N bond breaking mechanism dominant at lower overpotentials. It also identifies catalyst restructuring and instability at high overpotentials, emphasizing the importance of catalyst coordination environment and solution speciation for active and stable RCC.

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

日本はGX戦略の一環としてCCUS技術の開発・導入を推進しており、本研究成果はアミン系吸収剤を用いた電気化学的CO2変換プロセスの効率化に寄与する可能性がある。特に、触媒安定性の課題を明確にした点は実用化に向けた重要な知見である。

In the global GX context

This work addresses a key challenge in reactive carbon capture (RCC) by elucidating selectivity and stability mechanisms for Ni-N-C catalysts. It advances the global CCUS field by providing design principles for electrocatalysts that can directly convert captured CO2 from amine sorbents, which is relevant for industrial decarbonization pathways.

👥 読者別の含意

🔬研究者:Provides mechanistic insights into electrocatalytic reactive carbon capture using Ni-N-C catalysts, highlighting the role of solution speciation and catalyst stability.

🏢実務担当者:Offers guidance on optimizing catalyst and sorbent conditions for efficient CO2 conversion, relevant for developing practical electrochemistry-based carbon capture systems.

🏛政策担当者:Demonstrates progress in CCUS technology that could support policy frameworks aimed at scaling up carbon utilization and reducing industrial emissions.

📄 Abstract（原文）

Electrocatalytic reactive carbon capture (RCC), or the direct electroreduction of captured CO 2 -sorbent adducts, could enable more efficient conversion of dilute CO 2 streams to value-added products. Amines are among the best sorbents for industrial carbon capture, but achieving efficient RCC with amines typically leads to low Faradaic efficiency for carbon based products in favor of the hydrogen evolution reaction (HER). HER is prevalent on account of equivalent formation of protonated amines, which promote HER, along with formation of the captured CO 2 -amine adduct. We employed a joint theory and experimental approach to demonstrate Ni-N-C single atom catalysts as effective catalysts for RCC conversion to CO. Computational analysis revealed that RCC can proceed through direct reduction of the CO 2 -sorbent adduct or via an indirect C-N bond breaking mechanism with an adsorbed CO 2 intermediate. The prevalence of the mechanisms is potential dependent, with the indirect mechanism being predicted to be dominant at lower overpotentials where we experimentally observe CO selectivity. Electrochemical testing showed that intermediate concentrations of diethanolamine sorbent paired with dilute (10-25%) streams of CO 2 results in superior selectivity to bicarbonate solutions under the same dilute CO 2 conditions. Through in situ X-ray absorption spectroscopy and computational stability analysis, we found that RCC conditions can trigger restructuring and instability of Ni-N-C catalysts at higher overpotentials, leading to deactivation. Taken together, we find that controlling the coordination environment of the catalyst and the solution speciation are key to achieving active and stable RCC. This work was conducted under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. LLNL release number: LLNL-ABS-2014462.

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