Metals doped carbon nanotubes and carbon nanocages (Co 2 -CNT(8, 0) and Sc 2 -C 78 ) as catalysts of ORR in fuel cells
The nano structures (CNT(8, 0) and C ) are doped with two Co and Sc metals in order to obtain the suitable catalysts to process the ORR. The effects of different solvents on ORR on Co-C-C-Co-CNT(8, 0) and Sc-C are examined in benzene, methanol and water by polarizable continuum model. The ORR on Co-...
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| Veröffentlicht in: | Journal of molecular graphics & modelling 2022-05, Vol.115, p.108212 |
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| creator | Liu, Zhongyang Li, Cunhong Marzavi, Reza |
| description | The nano structures (CNT(8, 0) and C
) are doped with two Co and Sc metals in order to obtain the suitable catalysts to process the ORR. The effects of different solvents on ORR on Co-C-C-Co-CNT(8, 0) and Sc-C
are examined in benzene, methanol and water by polarizable continuum model. The ORR on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are processed by two paths as follow: *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions and *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions. Results shown that the Co-C-C-Co-CNT(8, 0) has higher potential than Sc-C-C-Sc-C
for ORR in benzene, methanol and water. Over potential on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are lower than various metals based nano catalysts. |
| format | Article |
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) are doped with two Co and Sc metals in order to obtain the suitable catalysts to process the ORR. The effects of different solvents on ORR on Co-C-C-Co-CNT(8, 0) and Sc-C
are examined in benzene, methanol and water by polarizable continuum model. The ORR on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are processed by two paths as follow: *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions and *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions. Results shown that the Co-C-C-Co-CNT(8, 0) has higher potential than Sc-C-C-Sc-C
for ORR in benzene, methanol and water. Over potential on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are lower than various metals based nano catalysts.</description><identifier>EISSN: 1873-4243</identifier><identifier>PMID: 35569304</identifier><language>eng</language><publisher>United States</publisher><ispartof>Journal of molecular graphics & modelling, 2022-05, Vol.115, p.108212</ispartof><rights>Copyright © 2022 Elsevier Inc. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,781,785</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/35569304$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Liu, Zhongyang</creatorcontrib><creatorcontrib>Li, Cunhong</creatorcontrib><creatorcontrib>Marzavi, Reza</creatorcontrib><title>Metals doped carbon nanotubes and carbon nanocages (Co 2 -CNT(8, 0) and Sc 2 -C 78 ) as catalysts of ORR in fuel cells</title><title>Journal of molecular graphics & modelling</title><addtitle>J Mol Graph Model</addtitle><description>The nano structures (CNT(8, 0) and C
) are doped with two Co and Sc metals in order to obtain the suitable catalysts to process the ORR. The effects of different solvents on ORR on Co-C-C-Co-CNT(8, 0) and Sc-C
are examined in benzene, methanol and water by polarizable continuum model. The ORR on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are processed by two paths as follow: *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions and *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions. Results shown that the Co-C-C-Co-CNT(8, 0) has higher potential than Sc-C-C-Sc-C
for ORR in benzene, methanol and water. Over potential on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are lower than various metals based nano catalysts.</description><issn>1873-4243</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNqFjk0LgjAcxkcQaS9fIf5Hg4TlNNdZii4VmHeZc4ahmzgN_PYNqUOnTg_8eN4myN7RkLi-5xMLzbV-YowJxeEMWSQI9geCfRu9LqJjlYZcNSIHztpMSZBMqq7PhAYmfyBnDwOdSIEHbnRNHLoFvBlddz4yCCkYoE3K9A6606AKuMUxlBKKXlTARVXpJZoWZlasPrpA69Mxic5u02e1yNOmLWvWDun3KPlreAPyI0TO</recordid><startdate>20220509</startdate><enddate>20220509</enddate><creator>Liu, Zhongyang</creator><creator>Li, Cunhong</creator><creator>Marzavi, Reza</creator><scope>NPM</scope></search><sort><creationdate>20220509</creationdate><title>Metals doped carbon nanotubes and carbon nanocages (Co 2 -CNT(8, 0) and Sc 2 -C 78 ) as catalysts of ORR in fuel cells</title><author>Liu, Zhongyang ; Li, Cunhong ; Marzavi, Reza</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-pubmed_primary_355693043</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Liu, Zhongyang</creatorcontrib><creatorcontrib>Li, Cunhong</creatorcontrib><creatorcontrib>Marzavi, Reza</creatorcontrib><collection>PubMed</collection><jtitle>Journal of molecular graphics & modelling</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Liu, Zhongyang</au><au>Li, Cunhong</au><au>Marzavi, Reza</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Metals doped carbon nanotubes and carbon nanocages (Co 2 -CNT(8, 0) and Sc 2 -C 78 ) as catalysts of ORR in fuel cells</atitle><jtitle>Journal of molecular graphics & modelling</jtitle><addtitle>J Mol Graph Model</addtitle><date>2022-05-09</date><risdate>2022</risdate><volume>115</volume><spage>108212</spage><pages>108212-</pages><eissn>1873-4243</eissn><abstract>The nano structures (CNT(8, 0) and C
) are doped with two Co and Sc metals in order to obtain the suitable catalysts to process the ORR. The effects of different solvents on ORR on Co-C-C-Co-CNT(8, 0) and Sc-C
are examined in benzene, methanol and water by polarizable continuum model. The ORR on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are processed by two paths as follow: *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions and *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions. Results shown that the Co-C-C-Co-CNT(8, 0) has higher potential than Sc-C-C-Sc-C
for ORR in benzene, methanol and water. Over potential on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C
are lower than various metals based nano catalysts.</abstract><cop>United States</cop><pmid>35569304</pmid></addata></record> |
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| ispartof | Journal of molecular graphics & modelling, 2022-05, Vol.115, p.108212 |
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| language | eng |
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| source | Access via ScienceDirect (Elsevier) |
| title | Metals doped carbon nanotubes and carbon nanocages (Co 2 -CNT(8, 0) and Sc 2 -C 78 ) as catalysts of ORR in fuel cells |
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