Mohamed J. Saadh, Mohammed Ahmed Mustafa, Qusay Husam Aziz, Anupam Yadav, Mandeep Kaur, Khalid Mujasam Batoo, Muhammad Farzik Ijaz, Salim B. Alsaadi, Eftikhaar Hasan Kadhum, Ahmed Read Al-Tameemi, Khaldoon T. Falih, Laith H. Alzubaidi, Irfan Ahmad
{"title":"掺金属纳米笼和掺金属纳米管作为 ORR 和 OER 的有效催化剂","authors":"Mohamed J. Saadh, Mohammed Ahmed Mustafa, Qusay Husam Aziz, Anupam Yadav, Mandeep Kaur, Khalid Mujasam Batoo, Muhammad Farzik Ijaz, Salim B. Alsaadi, Eftikhaar Hasan Kadhum, Ahmed Read Al-Tameemi, Khaldoon T. Falih, Laith H. Alzubaidi, Irfan Ahmad","doi":"10.1007/s12633-024-03101-w","DOIUrl":null,"url":null,"abstract":"<div><p>Here, the abilities of Fe-Si<sub>42</sub>, Fe-Al<sub>21</sub>N<sub>21</sub>, Cu-C<sub>60</sub>, Cu-B<sub>30</sub>P<sub>30</sub>, Fe-SiNT(9, 0), Fe-AlNNT(9, 0), Cu-CNT(6, 0) and Cu-BPNT(6, 0) as nano-catalysts of OER and ORR processes are investigated in alkaline environment. The calculated formation energy of Fe- and Cu-doped nanocages and Fe- and Cu-doped nanotubes (Fe-Si<sub>42</sub>, Fe-Al<sub>21</sub>N<sub>21</sub>, Fe and Cu doped nanotubes) are acceptable values and these structures are stable. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) have higher capacity for adsorption of OER/ORR species than other studied catalysts. The *OH removal and *OOH formation on Fe-Si<sub>42</sub>, Fe-Al<sub>21</sub>N<sub>21</sub>, Fe and Cu doped nanotubes are potential-determining steps for OER/ORR processes in alkaline environment. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) catalysts for OER/ORR processes have lower over-potential than other studied catalysts. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) as effective catalysts are suggested to catalyze the OER/ORR processes in alkaline environment.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"16 15","pages":"5739 - 5756"},"PeriodicalIF":2.8000,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Metal Doped Nanocages and Metal Doped Nanotubes as Effective Catalysts for ORR and OER\",\"authors\":\"Mohamed J. Saadh, Mohammed Ahmed Mustafa, Qusay Husam Aziz, Anupam Yadav, Mandeep Kaur, Khalid Mujasam Batoo, Muhammad Farzik Ijaz, Salim B. Alsaadi, Eftikhaar Hasan Kadhum, Ahmed Read Al-Tameemi, Khaldoon T. Falih, Laith H. Alzubaidi, Irfan Ahmad\",\"doi\":\"10.1007/s12633-024-03101-w\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Here, the abilities of Fe-Si<sub>42</sub>, Fe-Al<sub>21</sub>N<sub>21</sub>, Cu-C<sub>60</sub>, Cu-B<sub>30</sub>P<sub>30</sub>, Fe-SiNT(9, 0), Fe-AlNNT(9, 0), Cu-CNT(6, 0) and Cu-BPNT(6, 0) as nano-catalysts of OER and ORR processes are investigated in alkaline environment. The calculated formation energy of Fe- and Cu-doped nanocages and Fe- and Cu-doped nanotubes (Fe-Si<sub>42</sub>, Fe-Al<sub>21</sub>N<sub>21</sub>, Fe and Cu doped nanotubes) are acceptable values and these structures are stable. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) have higher capacity for adsorption of OER/ORR species than other studied catalysts. The *OH removal and *OOH formation on Fe-Si<sub>42</sub>, Fe-Al<sub>21</sub>N<sub>21</sub>, Fe and Cu doped nanotubes are potential-determining steps for OER/ORR processes in alkaline environment. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) catalysts for OER/ORR processes have lower over-potential than other studied catalysts. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) as effective catalysts are suggested to catalyze the OER/ORR processes in alkaline environment.</p></div>\",\"PeriodicalId\":776,\"journal\":{\"name\":\"Silicon\",\"volume\":\"16 15\",\"pages\":\"5739 - 5756\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-08-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Silicon\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12633-024-03101-w\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Silicon","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s12633-024-03101-w","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Metal Doped Nanocages and Metal Doped Nanotubes as Effective Catalysts for ORR and OER
Here, the abilities of Fe-Si42, Fe-Al21N21, Cu-C60, Cu-B30P30, Fe-SiNT(9, 0), Fe-AlNNT(9, 0), Cu-CNT(6, 0) and Cu-BPNT(6, 0) as nano-catalysts of OER and ORR processes are investigated in alkaline environment. The calculated formation energy of Fe- and Cu-doped nanocages and Fe- and Cu-doped nanotubes (Fe-Si42, Fe-Al21N21, Fe and Cu doped nanotubes) are acceptable values and these structures are stable. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) have higher capacity for adsorption of OER/ORR species than other studied catalysts. The *OH removal and *OOH formation on Fe-Si42, Fe-Al21N21, Fe and Cu doped nanotubes are potential-determining steps for OER/ORR processes in alkaline environment. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) catalysts for OER/ORR processes have lower over-potential than other studied catalysts. The Fe-AlNNT(9, 0) and Cu-BPNT(6, 0) as effective catalysts are suggested to catalyze the OER/ORR processes in alkaline environment.
期刊介绍：
The journal Silicon is intended to serve all those involved in studying the role of silicon as an enabling element in materials science. There are no restrictions on disciplinary boundaries provided the focus is on silicon-based materials or adds significantly to the understanding of such materials. Accordingly, such contributions are welcome in the areas of inorganic and organic chemistry, physics, biology, engineering, nanoscience, environmental science, electronics and optoelectronics, and modeling and theory. Relevant silicon-based materials include, but are not limited to, semiconductors, polymers, composites, ceramics, glasses, coatings, resins, composites, small molecules, and thin films.
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