Solid effect DNP polarization dynamics in a system of many spins
We discuss the polarization dynamics during solid effect dynamic nuclear polarization (DNP) in a central spin model that consists of an electron surrounded by many nuclei. To this end we use a recently developed formalism and validate first its performance by comparing its predictions to results obt...
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| Format: | Article |
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Elsevier
2016
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| Online Access: | https://eprints.nottingham.ac.uk/35058/ |
| _version_ | 1848794993907466240 |
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| author | Wiśniewski, Daniel Karabanov, Alexander Lesanovsky, Igor Köckenberger, Walter |
| author_facet | Wiśniewski, Daniel Karabanov, Alexander Lesanovsky, Igor Köckenberger, Walter |
| author_sort | Wiśniewski, Daniel |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | We discuss the polarization dynamics during solid effect dynamic nuclear polarization (DNP) in a central spin model that consists of an electron surrounded by many nuclei. To this end we use a recently developed formalism and validate first its performance by comparing its predictions to results obtained by solving the Liouville von Neumann master equation. The use of a Monte Carlo method in our formalism makes it possible to significantly increase the number of spins considered in the model system. We then analyse the dependence of the nuclear bulk polarization on the presence of nuclei in the vicinity of the electron and demonstrate that increasing the minimal distance between nuclei and electrons leads to a rise of the nuclear bulk polarization. These observations have implications for the design of radicals that can lead to improved values of nuclear spin polarization. Furthermore, we discuss the potential to extend our formalism to more complex spin systems such as cross effect DNP. |
| first_indexed | 2025-11-14T19:25:01Z |
| format | Article |
| id | nottingham-35058 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T19:25:01Z |
| publishDate | 2016 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-350582020-05-04T17:42:28Z https://eprints.nottingham.ac.uk/35058/ Solid effect DNP polarization dynamics in a system of many spins Wiśniewski, Daniel Karabanov, Alexander Lesanovsky, Igor Köckenberger, Walter We discuss the polarization dynamics during solid effect dynamic nuclear polarization (DNP) in a central spin model that consists of an electron surrounded by many nuclei. To this end we use a recently developed formalism and validate first its performance by comparing its predictions to results obtained by solving the Liouville von Neumann master equation. The use of a Monte Carlo method in our formalism makes it possible to significantly increase the number of spins considered in the model system. We then analyse the dependence of the nuclear bulk polarization on the presence of nuclei in the vicinity of the electron and demonstrate that increasing the minimal distance between nuclei and electrons leads to a rise of the nuclear bulk polarization. These observations have implications for the design of radicals that can lead to improved values of nuclear spin polarization. Furthermore, we discuss the potential to extend our formalism to more complex spin systems such as cross effect DNP. Elsevier 2016-03-09 Article PeerReviewed Wiśniewski, Daniel, Karabanov, Alexander, Lesanovsky, Igor and Köckenberger, Walter (2016) Solid effect DNP polarization dynamics in a system of many spins. Journal of Magnetic Resonance, 264 . pp. 30-38. ISSN 1090-7807 Dynamic nuclear polarization; Solid effect DNP; Many spins simulation; Lindblad formalism http://www.sciencedirect.com/science/article/pii/S1090780716000574 doi:10.1016/j.jmr.2016.01.016 doi:10.1016/j.jmr.2016.01.016 |
| spellingShingle | Dynamic nuclear polarization; Solid effect DNP; Many spins simulation; Lindblad formalism Wiśniewski, Daniel Karabanov, Alexander Lesanovsky, Igor Köckenberger, Walter Solid effect DNP polarization dynamics in a system of many spins |
| title | Solid effect DNP polarization dynamics in a system of many spins |
| title_full | Solid effect DNP polarization dynamics in a system of many spins |
| title_fullStr | Solid effect DNP polarization dynamics in a system of many spins |
| title_full_unstemmed | Solid effect DNP polarization dynamics in a system of many spins |
| title_short | Solid effect DNP polarization dynamics in a system of many spins |
| title_sort | solid effect dnp polarization dynamics in a system of many spins |
| topic | Dynamic nuclear polarization; Solid effect DNP; Many spins simulation; Lindblad formalism |
| url | https://eprints.nottingham.ac.uk/35058/ https://eprints.nottingham.ac.uk/35058/ https://eprints.nottingham.ac.uk/35058/ |