氮掺杂石墨烯的氧还原活性

IF 0.7 4区工程技术 Q4 CHEMISTRY, APPLIED

Polish Journal of Chemical Technology Pub Date : 2022-09-01 DOI:10.2478/pjct-2022-0019

Liu Jian-feng, Sun Ge, Wang Ting, Ning Kai, Yuan Bin-xia, Pan Wei-guo

{"title":"氮掺杂石墨烯的氧还原活性","authors":"Liu Jian-feng, Sun Ge, Wang Ting, Ning Kai, Yuan Bin-xia, Pan Wei-guo","doi":"10.2478/pjct-2022-0019","DOIUrl":null,"url":null,"abstract":"Abstract Graphite nitrogen, pyridine nitrogen and pyrrole nitrogen are the main nitrogen types in nitrogen-doped graphene materials. In order to investigate the mechanism of the oxygen reduction activity of nitrogen-doped graphene, several models of nitrogen-doped graphene with different nitrogen contents and different nitrogen types are developed. The nitrogen content is varied from 1.3 at% to 7.8 at%, and the adsorption energy is calculated according to the established models, then the band gaps are analyzed through the optimization results, so as to compare the magnitude of the conductivity. Finally, the oxygen reduction activity of graphite nitrogen-doped graphene (GNG) is found to be better than pyridine nitrogen-doped graphene (PDNG) and pyrrole nitrogen-doped graphene (PLNG) when the nitrogen content is lower than 2.6 at%, and the oxygen reduction activity of PDNG is the best when the nitrogen content was higher than 2.6 at%.","PeriodicalId":20324,"journal":{"name":"Polish Journal of Chemical Technology","volume":"24 1","pages":"29 - 34"},"PeriodicalIF":0.7000,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The Oxygen Reduction Activity of Nitrogen-doped Graphene\",\"authors\":\"Liu Jian-feng, Sun Ge, Wang Ting, Ning Kai, Yuan Bin-xia, Pan Wei-guo\",\"doi\":\"10.2478/pjct-2022-0019\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Abstract Graphite nitrogen, pyridine nitrogen and pyrrole nitrogen are the main nitrogen types in nitrogen-doped graphene materials. In order to investigate the mechanism of the oxygen reduction activity of nitrogen-doped graphene, several models of nitrogen-doped graphene with different nitrogen contents and different nitrogen types are developed. The nitrogen content is varied from 1.3 at% to 7.8 at%, and the adsorption energy is calculated according to the established models, then the band gaps are analyzed through the optimization results, so as to compare the magnitude of the conductivity. Finally, the oxygen reduction activity of graphite nitrogen-doped graphene (GNG) is found to be better than pyridine nitrogen-doped graphene (PDNG) and pyrrole nitrogen-doped graphene (PLNG) when the nitrogen content is lower than 2.6 at%, and the oxygen reduction activity of PDNG is the best when the nitrogen content was higher than 2.6 at%.\",\"PeriodicalId\":20324,\"journal\":{\"name\":\"Polish Journal of Chemical Technology\",\"volume\":\"24 1\",\"pages\":\"29 - 34\"},\"PeriodicalIF\":0.7000,\"publicationDate\":\"2022-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Polish Journal of Chemical Technology\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.2478/pjct-2022-0019\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polish Journal of Chemical Technology","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.2478/pjct-2022-0019","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}

引用次数: 0

摘要

摘要石墨氮、吡啶氮和吡咯氮是氮掺杂石墨烯材料中主要的氮类型。为了研究氮掺杂石墨烯氧还原活性的机理，建立了几种不同氮含量和不同氮类型的氮掺杂石墨烯模型。氮含量在1.3 at% ~ 7.8 at%范围内变化，根据建立的模型计算吸附能，并通过优化结果分析带隙，比较电导率的大小。最后发现，当氮含量低于2.6%时，石墨氮掺杂石墨烯(GNG)的氧还原活性优于吡啶氮掺杂石墨烯(PDNG)和吡咯氮掺杂石墨烯(PLNG)，当氮含量高于2.6%时，PDNG的氧还原活性最好。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

The Oxygen Reduction Activity of Nitrogen-doped Graphene

Abstract Graphite nitrogen, pyridine nitrogen and pyrrole nitrogen are the main nitrogen types in nitrogen-doped graphene materials. In order to investigate the mechanism of the oxygen reduction activity of nitrogen-doped graphene, several models of nitrogen-doped graphene with different nitrogen contents and different nitrogen types are developed. The nitrogen content is varied from 1.3 at% to 7.8 at%, and the adsorption energy is calculated according to the established models, then the band gaps are analyzed through the optimization results, so as to compare the magnitude of the conductivity. Finally, the oxygen reduction activity of graphite nitrogen-doped graphene (GNG) is found to be better than pyridine nitrogen-doped graphene (PDNG) and pyrrole nitrogen-doped graphene (PLNG) when the nitrogen content is lower than 2.6 at%, and the oxygen reduction activity of PDNG is the best when the nitrogen content was higher than 2.6 at%.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Polish Journal of Chemical Technology CHEMISTRY, APPLIED-ENGINEERING, CHEMICAL

CiteScore

1.70

自引率

10.00%

发文量

审稿时长

4.5 months

期刊介绍： Polish Journal of Chemical Technology is a peer-reviewed, international journal devoted to fundamental and applied chemistry, as well as chemical engineering and biotechnology research. It has a very broad scope but favors interdisciplinary research that bring chemical technology together with other disciplines. All authors receive very fast and comprehensive peer-review. Additionally, every published article is promoted to researchers working in the same field.