Examination of oxygen reduction reaction on surfaces of Sc-Si52, Sc-C52 and Sc-Al26P26

IF 2.4 4区化学 Q3 CHEMISTRY, PHYSICAL

Ionics Pub Date : 2025-02-19 DOI:10.1007/s11581-025-06149-9

Zahraa Sabah Ghnim, Ayat Hussein Adhab, Anjan Kumar, Prakash Kanjariya, Asha Rajiv, Aman Shankhyan, Sachin Jaidka, Girish Chandra Sharma, Morug Salih Mahdi, Aseel Salah Mansoor, Usama Kadem Radi, Nasr Saadoun Abd

{"title":"Examination of oxygen reduction reaction on surfaces of Sc-Si52, Sc-C52 and Sc-Al26P26","authors":"Zahraa Sabah Ghnim, Ayat Hussein Adhab, Anjan Kumar, Prakash Kanjariya, Asha Rajiv, Aman Shankhyan, Sachin Jaidka, Girish Chandra Sharma, Morug Salih Mahdi, Aseel Salah Mansoor, Usama Kadem Radi, Nasr Saadoun Abd","doi":"10.1007/s11581-025-06149-9","DOIUrl":null,"url":null,"abstract":"<div>The potential of Sc-Si52, Sc-C52 and Sc-Al26P26 to catalyze the ORR pathways has been investigated. The possible mechanisms and corresponding parameters for reaction steps of ORR on Sc-Si52, Sc-C52 and Sc-Al26P26 have been investigated. The adsorption of Scandium atoms on Si52, C52 and Al26P26 nanocages can be improved the stability of Sc-Si52, Sc-C52 and Sc-Al26P26 nanocages, significantly. The adsorption energy (Eadsorption) of Scandium atoms on Si52, C52 and Al26P26 nanocages to create the Sc-Si52, Sc-C52 and Sc-Al26P26 are -4.13, -4.25 and -4.52 eV, respectively. The Sc atoms of Sc-Si52, Sc-C52 and Sc-Al26P26 are active sites for adsorption of species as the first step of ORR on studied catalysts. The formation of *OH-OH* is the rate-determining step on surfaces of Sc-Si52, Sc-C52 and Sc-Al26P26. The Sc-Al26P26 for ORR pathways has lower over-potential than Sc-Si52 and Sc-C52. Finally, the Sc-Al26P26 nano-catalyst is suggested as available catalyst for ORR processes with low over-potential and high efficiency.</div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":"31 4","pages":"3551 - 3557"},"PeriodicalIF":2.4000,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Ionics","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11581-025-06149-9","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

The potential of Sc-Si₅₂, Sc-C₅₂ and Sc-Al₂₆P₂₆ to catalyze the ORR pathways has been investigated. The possible mechanisms and corresponding parameters for reaction steps of ORR on Sc-Si₅₂, Sc-C₅₂ and Sc-Al₂₆P₂₆ have been investigated. The adsorption of Scandium atoms on Si₅₂, C₅₂ and Al₂₆P₂₆ nanocages can be improved the stability of Sc-Si₅₂, Sc-C₅₂ and Sc-Al₂₆P₂₆ nanocages, significantly. The adsorption energy (E_adsorption) of Scandium atoms on Si₅₂, C₅₂ and Al₂₆P₂₆ nanocages to create the Sc-Si₅₂, Sc-C₅₂ and Sc-Al₂₆P₂₆ are -4.13, -4.25 and -4.52 eV, respectively. The Sc atoms of Sc-Si₅₂, Sc-C₅₂ and Sc-Al₂₆P₂₆ are active sites for adsorption of species as the first step of ORR on studied catalysts. The formation of *OH-OH* is the rate-determining step on surfaces of Sc-Si₅₂, Sc-C₅₂ and Sc-Al₂₆P₂₆. The Sc-Al₂₆P₂₆ for ORR pathways has lower over-potential than Sc-Si₅₂ and Sc-C₅₂. Finally, the Sc-Al₂₆P₂₆ nano-catalyst is suggested as available catalyst for ORR processes with low over-potential and high efficiency.

查看原文本刊更多论文

Sc-Si52、Sc-C52和Sc-Al26P26表面氧还原反应的研究

研究了Sc-Si52、Sc-C52和Sc-Al26P26催化ORR通路的潜力。研究了ORR在Sc-Si52、Sc-C52和Sc-Al26P26上反应步骤的可能机理和相应参数。钪原子在Si52、C52和Al26P26纳米笼上的吸附可以显著提高Sc-Si52、Sc-C52和Sc-Al26P26纳米笼的稳定性。钪原子在Si52、C52和Al26P26纳米笼上制备Sc-Si52、Sc-C52和Sc-Al26P26的吸附能分别为-4.13、-4.25和-4.52 eV。Sc- si52、Sc- c52和Sc- al26p26的Sc原子是ORR第一步吸附物质的活性位点。*OH-OH*的形成是Sc-Si52、Sc-C52和Sc-Al26P26表面的速率决定步骤。ORR通路的Sc-Al26P26过电位低于Sc-Si52和Sc-C52。最后，提出了Sc-Al26P26纳米催化剂作为低过电位、高效率的ORR工艺催化剂。

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

Ionics 化学-电化学

CiteScore

5.30

自引率

7.10%

发文量

427

审稿时长

2.2 months

期刊介绍： Ionics is publishing original results in the fields of science and technology of ionic motion. This includes theoretical, experimental and practical work on electrolytes, electrode, ionic/electronic interfaces, ionic transport aspects of corrosion, galvanic cells, e.g. for thermodynamic and kinetic studies, batteries, fuel cells, sensors and electrochromics. Fast solid ionic conductors are presently providing new opportunities in view of several advantages, in addition to conventional liquid electrolytes.