Optimal sample formulations for DNP SENS: The importance of radical-surface interactions

Perras, Frederic A.; Wang, Lin-Lin; Manzano, J. Sebastian; Chaudhary, Umesh; Opembe, Naftali N.; Johnson, Duane D.; Slowing, Igor I.; Pruski, Marek

doi:10.1016/j.cocis.2017.11.002

Title: Optimal sample formulations for DNP SENS: The importance of radical-surface interactions

Journal Article · Wed Nov 15 00:00:00 EST 2017 · Current Opinion in Colloid & Interface Science

DOI:https://doi.org/10.1016/j.cocis.2017.11.002· OSTI ID:1411961

Perras, Frederic A. ^[1]; Wang, Lin-Lin ^[1]; Manzano, J. Sebastian ^[2]; Chaudhary, Umesh ^[2]; Opembe, Naftali N. ^[1];

^[2]; Slowing, Igor I. ^[2]; Pruski, Marek ^[2]

Ames Lab., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

The efficacy of dynamic nuclear polarization (DNP) surface-enhanced NMR spectroscopy (SENS) is reviewed for alumina, silica, and ordered mesoporous carbon (OMC) materials, with vastly different surface areas, as a function of the biradical concentration. Importantly, our studies show that the use of a “one-size-fits-all” biradical concentration should be avoided when performing DNP SENS experiments and instead an optimal concentration should be selected as appropriate for the type of material studied as well as its surface area. In general, materials with greater surface areas require higher radical concentrations for best possible DNP performance. This result is explained with the use of a thermodynamic model wherein radical-surface interactions are expected to lead to an increase in the local concentration of the polarizing agent at the surface. We also show, using plane-wave density functional theory calculations, that weak radical-surface interactions are the cause of the poor performance of DNP SENS for carbonaceous materials.

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Research Organization:: Ames Lab., Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: EEC-0813570; AC02-07CH11358

OSTI ID:: 1411961

Alternate ID(s):: OSTI ID: 1496490

Report Number(s):: IS-J-9394; PII: S1359029417300894

Journal Information:: Current Opinion in Colloid & Interface Science, Vol. 33, Issue C; ISSN 1359-0294

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 41 works

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dynamic nuclear polarization
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carbonaceous materials

Title: Optimal sample formulations for DNP SENS: The importance of radical-surface interactions

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