Photocatalytic oxidation of high concentration NO over SnS2/g-C3N4: A mechanistic study

Q3 Energy

燃料化学学报 Pub Date : 2025-03-01 DOI:10.1016/S1872-5813(24)60510-4

Haocun WANG , Qixin ZHANG , Yifan YANG, Junjie BIAN, Chunhu LI

{"title":"Photocatalytic oxidation of high concentration NO over SnS2/g-C3N4: A mechanistic study","authors":"Haocun WANG , Qixin ZHANG , Yifan YANG, Junjie BIAN, Chunhu LI","doi":"10.1016/S1872-5813(24)60510-4","DOIUrl":null,"url":null,"abstract":"<div><div>This study aims to enhance the photocatalytic performance of 2D/2D heterojunctions for NO removal from marine vessel effluents. SnS<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub> composites were successfully constructed via a facile solvothermal method, demonstrating a significant improvement in photocatalytic NO removal under visible light irradiation. For high-flux simulated flue gas, the composite with 10% SnS<sub>2</sub> (denoted as SNCN-10) showed exceptional NO removal efficiency, reaching up to 66.8%, along with excellent reusability over five consecutive cycles. Detailed band structure and density of states (DOS) calculations confirmed the formation of a characteristic heterojunction. Spin-trapping ESR spectroscopy identified ·O− 2 as the key reactive species driving NO oxidation. Additionally, <em>in situ</em> DRIFT spectroscopy revealed that SNCN-10 facilitated the conversion of NO to nitrate through intermediate species, including bridging nitrite and <em>cis</em>-nitrite (N<sub>2</sub>O2− 2). Kinetic studies further indicated that NO oxidation followed the Langmuir-Hinshelwood (L-H) mechanism. Based on density functional theory (DFT) calculations of free energy changes, a comprehensive reaction pathway for NO oxidation was proposed. These findings provide valuable insights for the development of efficient photocatalytic strategies for NO removal.</div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"53 3","pages":"Pages 323-334"},"PeriodicalIF":0.0000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"燃料化学学报","FirstCategoryId":"1087","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1872581324605104","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Energy","Score":null,"Total":0}

引用次数: 0

Abstract

This study aims to enhance the photocatalytic performance of 2D/2D heterojunctions for NO removal from marine vessel effluents. SnS₂/g-C₃N₄ composites were successfully constructed via a facile solvothermal method, demonstrating a significant improvement in photocatalytic NO removal under visible light irradiation. For high-flux simulated flue gas, the composite with 10% SnS₂ (denoted as SNCN-10) showed exceptional NO removal efficiency, reaching up to 66.8%, along with excellent reusability over five consecutive cycles. Detailed band structure and density of states (DOS) calculations confirmed the formation of a characteristic heterojunction. Spin-trapping ESR spectroscopy identified ·O− 2 as the key reactive species driving NO oxidation. Additionally, in situ DRIFT spectroscopy revealed that SNCN-10 facilitated the conversion of NO to nitrate through intermediate species, including bridging nitrite and cis-nitrite (N₂O2− 2). Kinetic studies further indicated that NO oxidation followed the Langmuir-Hinshelwood (L-H) mechanism. Based on density functional theory (DFT) calculations of free energy changes, a comprehensive reaction pathway for NO oxidation was proposed. These findings provide valuable insights for the development of efficient photocatalytic strategies for NO removal.

查看原文本刊更多论文

SnS2/g-C3N4光催化氧化高浓度NO的机理研究

本研究旨在提高2D/2D异质结光催化去除船舶废水中NO的性能。通过简单的溶剂热法成功构建了SnS2/g-C3N4复合材料，表明在可见光照射下光催化去除NO的能力有显著提高。对于高通量模拟烟气，含10% SnS2（记为SNCN-10）的复合材料表现出优异的NO去除效率，最高可达66.8%，并且在连续5个循环中具有优异的可重复使用性。详细的能带结构和态密度（DOS）计算证实了一个特征性异质结的形成。自旋捕获ESR光谱鉴定·O−2是驱动NO氧化的关键反应物质。此外，原位漂移光谱显示，SNCN-10通过中间物质促进NO转化为硝酸盐，包括桥接亚硝酸盐和顺式亚硝酸盐（N2O2−2）。动力学研究进一步表明，NO氧化遵循Langmuir-Hinshelwood （L-H）机制。基于密度泛函理论（DFT）的自由能变化计算，提出了NO氧化的综合反应途径。这些发现为开发高效的光催化NO去除策略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。

求助全文

约1分钟内获得全文求助全文

来源期刊

燃料化学学报 Chemical Engineering-Chemical Engineering (all)

CiteScore

2.80

自引率

0.00%

发文量

5825

期刊介绍： Journal of Fuel Chemistry and Technology (Ranliao Huaxue Xuebao) is a Chinese Academy of Sciences(CAS) journal started in 1956, sponsored by the Chinese Chemical Society and the Institute of Coal Chemistry, Chinese Academy of Sciences(CAS). The journal is published bimonthly by Science Press in China and widely distributed in about 20 countries. Journal of Fuel Chemistry and Technology publishes reports of both basic and applied research in the chemistry and chemical engineering of many energy sources, including that involved in the nature, processing and utilization of coal, petroleum, oil shale, natural gas, biomass and synfuels, as well as related subjects of increasing interest such as C1 chemistry, pollutions control and new catalytic materials. Types of publications include original research articles, short communications, research notes and reviews. Both domestic and international contributors are welcome. Manuscripts written in Chinese or English will be accepted. Additional English titles, abstracts and key words should be included in Chinese manuscripts. All manuscripts are subject to critical review by the editorial committee, which is composed of about 10 foreign and 50 Chinese experts in fuel science. Journal of Fuel Chemistry and Technology has been a source of primary research work in fuel chemistry as a Chinese core scientific periodical.