Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters
Finding an efficient catalyst to convert CO2 into useful products is a challenging problem. Here, the authors use first-principles calculations to show how the attached donor/acceptor ligands on the Ti6Se8 cluster can be utilized to design effective catalysts for CO2 hydrogenation to formic acid.
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-03-01
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| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-023-00851-3 |
| _version_ | 1797865323578261504 |
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| author | Turbasu Sengupta Shiv N. Khanna |
| author_facet | Turbasu Sengupta Shiv N. Khanna |
| author_sort | Turbasu Sengupta |
| collection | DOAJ |
| description | Finding an efficient catalyst to convert CO2 into useful products is a challenging problem. Here, the authors use first-principles calculations to show how the attached donor/acceptor ligands on the Ti6Se8 cluster can be utilized to design effective catalysts for CO2 hydrogenation to formic acid. |
| first_indexed | 2024-04-09T23:07:26Z |
| format | Article |
| id | doaj.art-679353b9c02c42d9b17b9dceff714cfd |
| institution | Directory Open Access Journal |
| issn | 2399-3669 |
| language | English |
| last_indexed | 2024-04-09T23:07:26Z |
| publishDate | 2023-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Chemistry |
| spelling | doaj.art-679353b9c02c42d9b17b9dceff714cfd2023-03-22T10:38:49ZengNature PortfolioCommunications Chemistry2399-36692023-03-01611910.1038/s42004-023-00851-3Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clustersTurbasu Sengupta0Shiv N. Khanna1Department of Physics, Virginia Commonwealth UniversityDepartment of Physics, Virginia Commonwealth UniversityFinding an efficient catalyst to convert CO2 into useful products is a challenging problem. Here, the authors use first-principles calculations to show how the attached donor/acceptor ligands on the Ti6Se8 cluster can be utilized to design effective catalysts for CO2 hydrogenation to formic acid.https://doi.org/10.1038/s42004-023-00851-3 |
| spellingShingle | Turbasu Sengupta Shiv N. Khanna Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters Communications Chemistry |
| title | Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters |
| title_full | Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters |
| title_fullStr | Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters |
| title_full_unstemmed | Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters |
| title_short | Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters |
| title_sort | converting co2 to formic acid by tuning quantum states in metal chalcogenide clusters |
| url | https://doi.org/10.1038/s42004-023-00851-3 |
| work_keys_str_mv | AT turbasusengupta convertingco2toformicacidbytuningquantumstatesinmetalchalcogenideclusters AT shivnkhanna convertingco2toformicacidbytuningquantumstatesinmetalchalcogenideclusters |