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DNP-NMR of surface hydrogen on silicon microparticles


Daphna Shimon

Kipp J. van Schooten

Subhradip Paul

Zaili Peng

Susumu Takahashi

Chandrasekhar Ramanathan


Dynamic nuclear polarization (DNP) enhanced nuclear magnetic resonance (NMR) offers a promising route to studying local atomic environments at the surface of both crystalline and amorphous materials. We take advantage of unpaired electrons due to defects close to the surface of the silicon microparticles to hyperpolarize adjacent 1H nuclei. At 3.3 T and 4.2 K, we observe the presence of two proton peaks, each with a linewidth on the order of 5 kHz. Echo experiments indicate a homogeneous linewidth of 150 - 300 Hz for both peaks, indicative of a sparse distribution of protons in both environments. The high frequency peak at 10?ppm lies within the typical chemical shift range for proton NMR, and was found to be relatively stable over repeated measurements. The low frequency peak was found to vary in position between ?19 and ?37 ppm, well outside the range of typical proton NMR shifts, and indicative of a high-degree of chemical shielding. The low frequency peak was also found to vary significantly in intensity across different experimental runs, suggesting a weakly-bound species. These results suggest that the hydrogen is located in two distinct microscopic environments on the surface of these Si particles.


Shimon, D., van Schooten, K. J., Paul, S., Peng, Z., Takahashi, S., Köckenberger, W., & Ramanathan, C. (2019). DNP-NMR of surface hydrogen on silicon microparticles. Solid State Nuclear Magnetic Resonance, 101, 68-75.

Journal Article Type Article
Acceptance Date Apr 30, 2019
Online Publication Date May 8, 2019
Publication Date 2019-09
Deposit Date Jun 11, 2019
Publicly Available Date Nov 9, 2020
Journal Solid State Nuclear Magnetic Resonance
Print ISSN 0926-2040
Electronic ISSN 1527-3326
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 101
Pages 68-75
Keywords NMR; DNP; Nuclear magnetic resonance; Dynamic nuclear polarization; Silicon particles; Surface
Public URL
Publisher URL
Additional Information This article is maintained by: Elsevier; Article Title: DNP-NMR of surface hydrogen on silicon microparticles; Journal Title: Solid State Nuclear Magnetic Resonance; CrossRef DOI link to publisher maintained version:; Content Type: article; Copyright: © 2019 Elsevier Inc. All rights reserved.


Shimon Et Al. - 2019 - DNP-NMR Of Surface Hydrogen On Silicon Microparticles (4.3 Mb)

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