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Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations


Alexander Karabanov

Grzegorz Kwiatkowski

Carlo U. Perotto

Daniel Wi?niewski


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.


Karabanov, A., Kwiatkowski, G., Perotto, C. U., Wiƛniewski, D., McMaster, J., Lesanovsky, I., & Köckenberger, W. (2016). Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations. Physical Chemistry Chemical Physics, 18(43), 30093-30104.

Journal Article Type Article
Acceptance Date Oct 13, 2016
Online Publication Date Oct 14, 2016
Publication Date Nov 21, 2016
Deposit Date Oct 26, 2016
Publicly Available Date Oct 26, 2016
Journal Physical Chemistry Chemical Physics
Print ISSN 1463-9076
Electronic ISSN 1463-9084
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 18
Issue 43
Pages 30093-30104
Public URL
Publisher URL!divAbstract
Additional Information : This document is Similarity Check deposited; : The PCCP Owner Societies have an exclusive publication licence for this journal; : Single-blind; : Received 21 June 2016; Accepted 13 October 2016; Accepted Manuscript published 14 October 2016; Advance Article published 24 October 2016; Version of Record published 2 November 2016


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