用于尿素电氧化的铈-氧化石墨烯纳米复合材料:实验与理论研究

IF 4.7 2区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR
Hariharan N Dhandapani, Chanchal Das, Narendra Nath Ghosh, Goutam Biswas*, B. Ramesh Babu* and Subrata Kundu*, 
{"title":"用于尿素电氧化的铈-氧化石墨烯纳米复合材料:实验与理论研究","authors":"Hariharan N Dhandapani,&nbsp;Chanchal Das,&nbsp;Narendra Nath Ghosh,&nbsp;Goutam Biswas*,&nbsp;B. Ramesh Babu* and Subrata Kundu*,&nbsp;","doi":"10.1021/acs.inorgchem.4c0274710.1021/acs.inorgchem.4c02747","DOIUrl":null,"url":null,"abstract":"<p >This study explores the potential of ceria–graphene oxide (CeO<sub>2</sub>-GO) nanocomposites as efficient electrocatalysts for urea electro-oxidation (UOR). This work combines experimental and theoretical investigations and characterization techniques confirm the successful formation of the CeO<sub>2</sub> embedded on graphene oxide sheets. UOR activity was found to be dependent on both OH<sup>–</sup> and urea concentrations. The optimal UOR performance was achieved in a 0.1 M urea and 1.0 M KOH solution, as evidenced by the low Tafel slope of 60 mV/dec and high turnover frequency (TOF) of 1.690 s<sup>–1</sup>. DFT calculations revealed that the CeO<sub>2</sub>-GO nanocomposite exhibited strong urea adsorption due to its favorable bond lengths (Ce–O: 2.58 Å, O–H: 1.77 Å) and high adsorption energy (−1.05 eV). These findings revealed that the CeO<sub>2</sub>-GO nanocomposites are promising as efficient and durable electrocatalysts for urea conversion to valuable products like nitrogen and hydrogen gas, with potential applications in clean energy generation and ammonia synthesis.</p>","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"63 34","pages":"16081–16094 16081–16094"},"PeriodicalIF":4.7000,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Ceria–Graphene Oxide Nanocomposite for Electro-oxidation of Urea: An Experimental and Theoretical Investigation\",\"authors\":\"Hariharan N Dhandapani,&nbsp;Chanchal Das,&nbsp;Narendra Nath Ghosh,&nbsp;Goutam Biswas*,&nbsp;B. Ramesh Babu* and Subrata Kundu*,&nbsp;\",\"doi\":\"10.1021/acs.inorgchem.4c0274710.1021/acs.inorgchem.4c02747\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >This study explores the potential of ceria–graphene oxide (CeO<sub>2</sub>-GO) nanocomposites as efficient electrocatalysts for urea electro-oxidation (UOR). This work combines experimental and theoretical investigations and characterization techniques confirm the successful formation of the CeO<sub>2</sub> embedded on graphene oxide sheets. UOR activity was found to be dependent on both OH<sup>–</sup> and urea concentrations. The optimal UOR performance was achieved in a 0.1 M urea and 1.0 M KOH solution, as evidenced by the low Tafel slope of 60 mV/dec and high turnover frequency (TOF) of 1.690 s<sup>–1</sup>. DFT calculations revealed that the CeO<sub>2</sub>-GO nanocomposite exhibited strong urea adsorption due to its favorable bond lengths (Ce–O: 2.58 Å, O–H: 1.77 Å) and high adsorption energy (−1.05 eV). These findings revealed that the CeO<sub>2</sub>-GO nanocomposites are promising as efficient and durable electrocatalysts for urea conversion to valuable products like nitrogen and hydrogen gas, with potential applications in clean energy generation and ammonia synthesis.</p>\",\"PeriodicalId\":40,\"journal\":{\"name\":\"Inorganic Chemistry\",\"volume\":\"63 34\",\"pages\":\"16081–16094 16081–16094\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2024-08-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c02747\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c02747","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0

摘要

本研究探讨了铈-氧化石墨烯(CeO2-GO)纳米复合材料作为尿素电氧化(UOR)高效电催化剂的潜力。这项工作结合了实验和理论研究以及表征技术,证实了嵌入氧化石墨烯片上的 CeO2 的成功形成。研究发现,UOR 活性取决于 OH 和尿素浓度。在 0.1 M 尿素和 1.0 M KOH 溶液中实现了最佳的 UOR 性能,这体现在 60 mV/dec 的低塔菲尔斜率和 1.690 s-1 的高翻转频率 (TOF)。DFT 计算显示,CeO2-GO 纳米复合材料具有良好的键长(Ce-O:2.58 Å,O-H:1.77 Å)和较高的吸附能(-1.05 eV),因而对尿素具有较强的吸附作用。这些研究结果表明,CeO2-GO 纳米复合材料有望成为将尿素转化为氮气和氢气等有价值产物的高效、耐用的电催化剂,在清洁能源发电和合成氨领域具有潜在的应用前景。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Ceria–Graphene Oxide Nanocomposite for Electro-oxidation of Urea: An Experimental and Theoretical Investigation

Ceria–Graphene Oxide Nanocomposite for Electro-oxidation of Urea: An Experimental and Theoretical Investigation

This study explores the potential of ceria–graphene oxide (CeO2-GO) nanocomposites as efficient electrocatalysts for urea electro-oxidation (UOR). This work combines experimental and theoretical investigations and characterization techniques confirm the successful formation of the CeO2 embedded on graphene oxide sheets. UOR activity was found to be dependent on both OH and urea concentrations. The optimal UOR performance was achieved in a 0.1 M urea and 1.0 M KOH solution, as evidenced by the low Tafel slope of 60 mV/dec and high turnover frequency (TOF) of 1.690 s–1. DFT calculations revealed that the CeO2-GO nanocomposite exhibited strong urea adsorption due to its favorable bond lengths (Ce–O: 2.58 Å, O–H: 1.77 Å) and high adsorption energy (−1.05 eV). These findings revealed that the CeO2-GO nanocomposites are promising as efficient and durable electrocatalysts for urea conversion to valuable products like nitrogen and hydrogen gas, with potential applications in clean energy generation and ammonia synthesis.

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
Inorganic Chemistry
Inorganic Chemistry 化学-无机化学与核化学
CiteScore
7.60
自引率
13.00%
发文量
1960
审稿时长
1.9 months
期刊介绍: Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信