Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations
A theory of dynamic nuclear polarisation (DNP) by thermal mixing is suggested based on purely quantum considerations. A minimal 6-level microscopic model is developed to test the theory and link it to the well known thermodynamic model. Optimal conditions for the nuclear polarization enhancement and...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Published: |
Royal Society of Chemistry
2016
|
| Online Access: | https://eprints.nottingham.ac.uk/37905/ |
| _version_ | 1848795557660721152 |
|---|---|
| author | Karabanov, Alexander Kwiatkowski, Grzegorz Perotto, Carlo U. Wiśniewski, Daniel McMaster, Jonathan Lesanovsky, Igor Köckenberger, Walter |
| author_facet | Karabanov, Alexander Kwiatkowski, Grzegorz Perotto, Carlo U. Wiśniewski, Daniel McMaster, Jonathan Lesanovsky, Igor Köckenberger, Walter |
| author_sort | Karabanov, Alexander |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | A theory of dynamic nuclear polarisation (DNP) by thermal mixing is suggested based on purely quantum considerations. A minimal 6-level microscopic model is developed to test the theory and link it to the well known thermodynamic model. Optimal conditions for the nuclear polarization enhancement and effects of inhomogeneous broadening of the electron resonance are discussed. Macroscopic simulations of nuclear polarization spectra displaying good agreement with experiments, involving BDPA and trityl free radicals, are presented. |
| first_indexed | 2025-11-14T19:33:59Z |
| format | Article |
| id | nottingham-37905 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T19:33:59Z |
| publishDate | 2016 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-379052020-05-04T18:20:30Z https://eprints.nottingham.ac.uk/37905/ Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations Karabanov, Alexander Kwiatkowski, Grzegorz Perotto, Carlo U. Wiśniewski, Daniel McMaster, Jonathan Lesanovsky, Igor Köckenberger, Walter A theory of dynamic nuclear polarisation (DNP) by thermal mixing is suggested based on purely quantum considerations. A minimal 6-level microscopic model is developed to test the theory and link it to the well known thermodynamic model. Optimal conditions for the nuclear polarization enhancement and effects of inhomogeneous broadening of the electron resonance are discussed. Macroscopic simulations of nuclear polarization spectra displaying good agreement with experiments, involving BDPA and trityl free radicals, are presented. Royal Society of Chemistry 2016-11-21 Article PeerReviewed Karabanov, Alexander, Kwiatkowski, Grzegorz, Perotto, Carlo U., Wiśniewski, Daniel, McMaster, Jonathan, Lesanovsky, Igor and Köckenberger, Walter (2016) Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations. Physical Chemistry Chemical Physics (46). pp. 30093-30104. ISSN 1463-9084 http://pubs.rsc.org/en/Content/ArticleLanding/2016/CP/C6CP04345C#!divAbstract doi: 10.1039/C6CP04345C doi: 10.1039/C6CP04345C |
| spellingShingle | Karabanov, Alexander Kwiatkowski, Grzegorz Perotto, Carlo U. Wiśniewski, Daniel McMaster, Jonathan Lesanovsky, Igor Köckenberger, Walter Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations |
| title | Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations |
| title_full | Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations |
| title_fullStr | Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations |
| title_full_unstemmed | Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations |
| title_short | Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations |
| title_sort | dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations |
| url | https://eprints.nottingham.ac.uk/37905/ https://eprints.nottingham.ac.uk/37905/ https://eprints.nottingham.ac.uk/37905/ |