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Issue 43, 2016
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Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations

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Abstract

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.

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

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Publication details

The article was received on 21 Jun 2016, accepted on 13 Oct 2016 and first published on 14 Oct 2016


Article type: Paper
DOI: 10.1039/C6CP04345C
Citation: Phys. Chem. Chem. Phys., 2016,18, 30093-30104
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    Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations

    A. Karabanov, G. Kwiatkowski, C. U. Perotto, D. Wiśniewski, J. McMaster, I. Lesanovsky and W. Köckenberger, Phys. Chem. Chem. Phys., 2016, 18, 30093
    DOI: 10.1039/C6CP04345C

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