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

被引：23
|
作者：
Karabanov, Alexander [1 ]
Kwiatkowski, Grzegorz [1 ]
Perotto, Carlo U. [2 ]
Wisniewski, Daniel [1 ]
McMaster, Jonathan [2 ]
Lesanovsky, Igor [1 ,3 ]
Kockenberger, Walter [1 ]
机构：
[1] Univ Nottingham, Sch Phys & Astron, Univ Pk, Nottingham NG7 2RD, England
[2] Univ Nottingham, Sch Chem, Univ Pk, Nottingham NG7 2RD, England
[3] Univ Nottingham, Ctr Math & Theoret Phys Quantum Nonequilibrium Sy, Nottingham NG7 2RD, England
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2016年 / 18卷 / 43期
基金：
欧洲研究理事会; 英国工程与自然科学研究理事会;
关键词：
SOLID-STATE; THEORETICAL ASPECTS; SPIN-TEMPERATURE; TRITYL RADICALS; SATURATION; MODEL; DNP;
D O I：
10.1039/c6cp04345c
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
引用
收藏
页码：30093 / 30104
页数：12
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