Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2023-09-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.3c05477 |
| _version_ | 1797667766347497472 |
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| author | Sehrish Sarfaraz Muhammad Yar Ajaz Hussain Ahmed Lakhani Adnan Gulzar Muhammad Ans Umer Rashid Masroor Hussain Shabbir Muhammad Imene Bayach Nadeem S. Sheikh Khurshid Ayub |
| author_facet | Sehrish Sarfaraz Muhammad Yar Ajaz Hussain Ahmed Lakhani Adnan Gulzar Muhammad Ans Umer Rashid Masroor Hussain Shabbir Muhammad Imene Bayach Nadeem S. Sheikh Khurshid Ayub |
| author_sort | Sehrish Sarfaraz |
| collection | DOAJ |
| first_indexed | 2024-03-11T20:19:15Z |
| format | Article |
| id | doaj.art-409b840112934161a049e49b3ffc5028 |
| institution | Directory Open Access Journal |
| issn | 2470-1343 |
| language | English |
| last_indexed | 2024-03-11T20:19:15Z |
| publishDate | 2023-09-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj.art-409b840112934161a049e49b3ffc50282023-10-03T09:03:13ZengAmerican Chemical SocietyACS Omega2470-13432023-09-01839364933650510.1021/acsomega.3c05477Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional StudySehrish Sarfaraz0Muhammad Yar1Ajaz Hussain2Ahmed Lakhani3Adnan Gulzar4Muhammad Ans5Umer Rashid6Masroor Hussain7Shabbir Muhammad8Imene Bayach9Nadeem S. Sheikh10Khurshid Ayub11Department of Chemistry, COMSATS University Islamabad, Abbottabad, PakistanDepartment of Chemistry, COMSATS University Islamabad, Abbottabad, PakistanInstitute of Chemical Sciences, Bahauddin Zakariya University, Multan, PakistanDepartment of Biomedical and Health Sciences, Calumet College of St. Joseph, Whiting, Indiana, United StatesCenter of Theoretical Chemistry, Ruhr-Universitat Bochum, Bochum, GermanyDepartment of Chemistry, University of Agriculture Faisalabad, Faisalabad, PakistanDepartment of Chemistry, COMSATS University Islamabad, Abbottabad, PakistanDepartment of Data Science, Ghulam Ishaq Khan Institute of Engineering Sciences and Technology, Topi, PakistanDepartment of Physics, College of Science, King Khalid University, Abha, Saudi ArabiaDepartment of Chemistry, College of Science, King Faisal University, Al-Ahsa, Saudi ArabiaChemical Sciences, Faculty of Science, Universiti Brunei Darussalam, Gadong, Brunei DarussalamDepartment of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistanhttps://doi.org/10.1021/acsomega.3c05477 |
| spellingShingle | Sehrish Sarfaraz Muhammad Yar Ajaz Hussain Ahmed Lakhani Adnan Gulzar Muhammad Ans Umer Rashid Masroor Hussain Shabbir Muhammad Imene Bayach Nadeem S. Sheikh Khurshid Ayub Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study ACS Omega |
| title | Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study |
| title_full | Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study |
| title_fullStr | Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study |
| title_full_unstemmed | Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study |
| title_short | Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study |
| title_sort | metallofullerenes as robust single atom catalysts for adsorption and dissociation of hydrogen molecules a density functional study |
| url | https://doi.org/10.1021/acsomega.3c05477 |
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