@article{Wang:2026:10.1016/j.cej.2025.172262,
author = {Wang, K and Zhao, P and Zhou, T and Wu, Y and Wang, T and Fennell, PS and Anthony, EJ},
doi = {10.1016/j.cej.2025.172262},
journal = {Chemical Engineering Journal},
title = {High-temperature CO2 capture and in-situ conversion over bifunctional Na2ZrO3 self-catalyst/sorbent for circular CO production},
url = {http://dx.doi.org/10.1016/j.cej.2025.172262},
volume = {528},
year = {2026}
}

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TY  - JOUR
AB  - CO<inf>2</inf> capture and utilization to produce value-added fuels and chemicals offers a promising avenue to assist in the mitigation of the global warming crisis. However, there are economic challenges for the regeneration of some sorbents used in CO<inf>2</inf> capture, owing to sorbent sintering and high energy requirements, while direct conversion processes are hindered by the lack of cost-effective, efficient, selective, and stable catalysts. We demonstrate the use of sodium zirconate-looping (NaL) with the reverse-Boudouard (RB) reaction enabling high-temperature CO<inf>2</inf> capture and in-situ CO<inf>2</inf> conversion operating in a single isothermal reactor operating at 800 °C. While employing a mild combustion synthesis method, the dual-function material Na<inf>2</inf>ZrO<inf>3</inf> exhibited a high and stable CO<inf>2</inf> uptake capacity of 4.9 mmol CO<inf>2</inf>/g without the use of Ni catalysts. This is due to its fine particle size, macroporous structure, and well-dispersed ZrO<inf>2</inf> stabilizer within the Na<inf>2</inf>O matrix. The resulting Na<inf>2</inf>CO<inf>3</inf>-ZrO<inf>2</inf> and regenerated Na<inf>2</inf>ZrO<inf>3</inf> phases (as synergistic self-catalysts) mixed with renewable and cost-effective biochar (as a reductant) facilitated exceptional in-situ CO<inf>2</inf> conversion efficiency (∼90 %), as well as high CO selectivity (approaching 100 %), and relative stability (∼80 %) even after multiple cycles. Importantly, theoretical calculations aligned with mechanistic studies revealed that the activation energy barriers at two specific oxygen sites for the monatomic C-assisted CO<inf>2</inf> dissociation/gasification were lower than the desorption energy of CO<inf>2</inf> on the Na<inf>2</inf
AU  - Wang,K
AU  - Zhao,P
AU  - Zhou,T
AU  - Wu,Y
AU  - Wang,T
AU  - Fennell,PS
AU  - Anthony,EJ
DO  - 10.1016/j.cej.2025.172262
PY  - 2026///
SN  - 1385-8947
TI  - High-temperature CO2 capture and in-situ conversion over bifunctional Na2ZrO3 self-catalyst/sorbent for circular CO production
T2  - Chemical Engineering Journal
UR  - http://dx.doi.org/10.1016/j.cej.2025.172262
VL  - 528
ER  - 

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