Theoretical Study on Selective Adsorption, Synergistic Effects, and Conversion of NO2 and SO2 on Cug/PCN Contribute to the 'Innovations in Catalysis with Earth Abundant Metals' collection in Catalysis Science & Technology

Xue Yin; Wei Lin

doi:10.1039/d6cy00351f

January 1, 2026Catalysis Science & Technology

Theoretical Study on Selective Adsorption, Synergistic Effects, and Conversion of NO2 and SO2 on Cug/PCN Contribute to the 'Innovations in Catalysis with Earth Abundant Metals' collection in Catalysis Science & Technology

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Key Points

This research aims to explore how NO2 and SO2 interact with Cug/PCN catalysts during conversion processes.
Utilized density functional theory calculations to analyze adsorption mechanisms.
Evaluated conversion efficiency of flue gas components on Cug/PCN.
Assessed synergistic effects of geminal-copper pairs on catalytic performance.
Identified key mechanisms for selective adsorption of NO2 and SO2.
Demonstrated enhanced conversion rates due to synergistic effects of copper pairs.
Findings suggest improved efficiency of Cug/PCN for reducing flue gas emissions.

Implication

Theoretical study reveals mechanisms for NO2 and SO2 conversion using Cug/PCN, indicating potential for cleaner emissions.

Abstract

This study employs density functional theory calculations to investigate the adsorption and conversion mechanisms of typical flue gas components (NO, NO2, SO2) on geminal-copper pair anchored polymeric carbon nitride (Cug/PCN)....

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Cite This Study

Yin et al. (2026) studied this question.

synapsesocial.com/papers/69e07d732f7e8953b7cbe6bd https://doi.org/10.1039/d6cy00351f

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Theoretical Study on Selective Adsorption, Synergistic Effects, and Conversion of NO2 and SO2 on Cug/PCN Contribute to the 'Innovations in Catalysis with Earth Abundant Metals' collection in Catalysis Science & Technology

Key Points

Implication

Abstract

Discussion

Cite This Study

Theoretical Study on Selective Adsorption, Synergistic Effects, and Conversion of NO2 and SO2 on Cug/PCN Contribute to the 'Innovations in Catalysis with Earth Abundant Metals' collection in Catalysis Science & Technology

Key Points

Implication

Abstract

Discussion

Cite This Study

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