Influence of Fe-N co-doping on biochar on the adsorption of CO2

IF 4.3 2区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Science Pub Date : 2025-09-27 DOI:10.1016/j.ces.2025.122702

Qianqian Yin , Yuanhe Gao , Ruikun Wang , Xiaoxun Zhu , Xiaoxia Gao , Zhenghui Zhao , Jianqiang Li , Kai Ma

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引用次数: 0

Abstract

Carbonaceous materials have been widely studied as CO₂ adsorbents in recent years. Fe/N doping can enhance the surface interactions between carbon materials and pollutants. In this study, the influence of Fe-N co-doping on biochar on the adsorption of CO₂ was investigated in experimental and theoretical. The results of characterization revealed that Fe-N co-doping altered the pore structure and the aromaticity of the carbon material. Additionally, the introduction of nitrogen promoted the dispersion and anchoring of iron on the carbon surface. Fe-N co-doped biochar exhibited a maximum CO₂ adsorption capacity of 3.58 mmol/g (1 bar, 298 K). Theoretical calculations indicated that Fe-N co-doping facilitated electron transfer between the carbon substrate and CO₂, enhanced π–π stacking interactions, and strengthened the Lewis acid-base interactions between the substrate and CO₂. Among all the adsorption sites, Fe site on the Fe-N-doped substrate demonstrated the highest adsorption energy for CO₂ (−58 kJ/mol). Therefore, the Fe-N co-doping significantly enhanced the CO₂ adsorption capacity of carbon materials by 16.23 % compared with DBC, offering valuable insights for the development of novel and efficient carbon-based materials for CO₂ capture.

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Fe-N共掺杂对生物炭吸附CO2的影响

近年来，碳质材料作为CO2吸附剂得到了广泛的研究。Fe/N掺杂可以增强碳材料与污染物之间的表面相互作用。本研究从实验和理论两方面研究了Fe-N共掺杂对生物炭吸附CO2的影响。表征结果表明，Fe-N共掺杂改变了碳材料的孔隙结构和芳香性。此外，氮的引入促进了铁在碳表面的分散和锚定。Fe-N共掺杂生物炭的最大CO2吸附量为3.58 mmol/g（1 bar, 298 K）。理论计算表明，Fe-N共掺杂促进了碳衬底与CO2之间的电子转移，增强了π -π堆积相互作用，增强了衬底与CO2之间的Lewis酸碱相互作用。在所有吸附位点中，Fe- n掺杂底物上的Fe位点对CO2的吸附能最高（- 58 kJ/mol）。因此，与DBC相比，Fe-N共掺杂显著提高了碳材料的CO2吸附能力16.23 %，为开发新型高效的碳基CO2捕获材料提供了有价值的见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemical Engineering Science 工程技术-工程：化工

CiteScore

7.50

自引率

8.50%

发文量

1025

审稿时长

50 days

期刊介绍： Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline. Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.