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Effect of coordination symmetry and metal-metal proximity on oxygen reduction reaction activity of Fe-Co dual-atom catalysts: A DFT investigation.

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Title: Effect of coordination symmetry and metal-metal proximity on oxygen reduction reaction activity of Fe-Co dual-atom catalysts: A DFT investigation.
Authors: Kumar A; Nano-Technology Research Laboratory, Department of Chemistry, GLA University, Mathura, Uttar Pradesh, 281406, India., Alshahrani T; Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia. Electronic address: thmalshahrani@pnu.edu.sa., Alsaif N; Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia., Ubaidullah M; Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia.
Source: Journal of molecular graphics & modelling [J Mol Graph Model] 2026 Jul; Vol. 146, pp. 109422. Date of Electronic Publication: 2026 Apr 22.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4243 (Electronic) Linking ISSN: 10933263 NLM ISO Abbreviation: J Mol Graph Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: <searchLink fieldCode="AU" term="%22Kumar+A%22">Kumar A</searchLink>; Nano-Technology Research Laboratory, Department of Chemistry, GLA University, Mathura, Uttar Pradesh, 281406, India.<br /><searchLink fieldCode="AU" term="%22Alshahrani+T%22">Alshahrani T</searchLink>; Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia. Electronic address: thmalshahrani@pnu.edu.sa.<br /><searchLink fieldCode="AU" term="%22Alsaif+N%22">Alsaif N</searchLink>; Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Ubaidullah+M%22">Ubaidullah M</searchLink>; Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia.
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  Data: <searchLink fieldCode="JN" term="%229716237%22">Journal of molecular graphics & modelling</searchLink> [J Mol Graph Model] 2026 Jul; Vol. 146, pp. 109422. <i>Date of Electronic Publication: </i>2026 Apr 22.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier+Science%2C+Inc%22">Elsevier Science, Inc </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>9716237 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1873-4243 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2210933263%22">10933263 </searchLink><i>NLM ISO Abbreviation: </i>J Mol Graph Model <i>Subsets: </i>MEDLINE
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        Value: 10.1016/j.jmgm.2026.109422
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      – Code: eng
        Text: English
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        StartPage: 109422
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      – TitleFull: Effect of coordination symmetry and metal-metal proximity on oxygen reduction reaction activity of Fe-Co dual-atom catalysts: A DFT investigation.
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              Text: 2026 Jul
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