A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles
Atomistic structure prediction of the metal-ligand interface of hybrid nanoparticles remains challenging. Here the authors present an algorithm to predict the structure of the metal-ligand interface of ligand-stabilized gold and silver nanoparticles, guided by experimental data on local chemical env...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2019-09-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-019-12031-w |
| _version_ | 1828971754984308736 |
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| author | Sami Malola Paavo Nieminen Antti Pihlajamäki Joonas Hämäläinen Tommi Kärkkäinen Hannu Häkkinen |
| author_facet | Sami Malola Paavo Nieminen Antti Pihlajamäki Joonas Hämäläinen Tommi Kärkkäinen Hannu Häkkinen |
| author_sort | Sami Malola |
| collection | DOAJ |
| description | Atomistic structure prediction of the metal-ligand interface of hybrid nanoparticles remains challenging. Here the authors present an algorithm to predict the structure of the metal-ligand interface of ligand-stabilized gold and silver nanoparticles, guided by experimental data on local chemical environments. |
| first_indexed | 2024-12-14T13:16:09Z |
| format | Article |
| id | doaj.art-1545ea91df1048f8ba81ab3314a4a8a4 |
| institution | Directory Open Access Journal |
| issn | 2041-1723 |
| language | English |
| last_indexed | 2024-12-14T13:16:09Z |
| publishDate | 2019-09-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj.art-1545ea91df1048f8ba81ab3314a4a8a42022-12-21T23:00:03ZengNature PortfolioNature Communications2041-17232019-09-0110111010.1038/s41467-019-12031-wA method for structure prediction of metal-ligand interfaces of hybrid nanoparticlesSami Malola0Paavo Nieminen1Antti Pihlajamäki2Joonas Hämäläinen3Tommi Kärkkäinen4Hannu Häkkinen5Department of Physics, Nanoscience Center, University of JyväskyläFaculty of Information Technology, University of JyväskyläDepartment of Physics, Nanoscience Center, University of JyväskyläFaculty of Information Technology, University of JyväskyläFaculty of Information Technology, University of JyväskyläDepartment of Physics, Nanoscience Center, University of JyväskyläAtomistic structure prediction of the metal-ligand interface of hybrid nanoparticles remains challenging. Here the authors present an algorithm to predict the structure of the metal-ligand interface of ligand-stabilized gold and silver nanoparticles, guided by experimental data on local chemical environments.https://doi.org/10.1038/s41467-019-12031-w |
| spellingShingle | Sami Malola Paavo Nieminen Antti Pihlajamäki Joonas Hämäläinen Tommi Kärkkäinen Hannu Häkkinen A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles Nature Communications |
| title | A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles |
| title_full | A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles |
| title_fullStr | A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles |
| title_full_unstemmed | A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles |
| title_short | A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles |
| title_sort | method for structure prediction of metal ligand interfaces of hybrid nanoparticles |
| url | https://doi.org/10.1038/s41467-019-12031-w |
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