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Strategies for 1H-Detected Dynamic Nuclear Polarization Magic-Angle Spinning NMR Spectroscopy (2020)
Journal Article
Concistré, M., Paul, S., Carravetta, M., Kuprov, I., & Williamson, P. T. F. (2020). Strategies for 1H-Detected Dynamic Nuclear Polarization Magic-Angle Spinning NMR Spectroscopy. Chemistry - A European Journal, 26(68), 15852-15854. https://doi.org/10.1002/chem.202003463

© 2020 The Authors. Published by Wiley-VCH GmbH Combining dynamic nuclear polarization with proton detection significantly enhances the sensitivity of magic-angle spinning NMR spectroscopy. Herein, the feasibility of proton-detected experiments with... Read More about Strategies for 1H-Detected Dynamic Nuclear Polarization Magic-Angle Spinning NMR Spectroscopy.

Crystal Structure Directed Catalysis by Aluminum Metal-Organic Framework: Mechanistic Insight into the Role of Coordination of Al Sites and Entrance Size of Catalytic Pocket (2020)
Journal Article
Maity, A., Singh, B., Sharma, K., Paul, S., Madhu, P. K., & Polshettiwar, V. (2020). Crystal Structure Directed Catalysis by Aluminum Metal-Organic Framework: Mechanistic Insight into the Role of Coordination of Al Sites and Entrance Size of Catalytic Pocket. ACS Materials Letters, 2(7), 699-704. https://doi.org/10.1021/acsmaterialslett.9b00527

© 2020 American Chemical Society. The use of metal-organic frameworks (MOFs) in the field of catalysis is growing exponentially due to their high surface area and distinctive active sites. In this work, we report a novel understanding of the active s... Read More about Crystal Structure Directed Catalysis by Aluminum Metal-Organic Framework: Mechanistic Insight into the Role of Coordination of Al Sites and Entrance Size of Catalytic Pocket.

Selective NMR observation of the SEI–metal interface by dynamic nuclear polarisation from lithium metal (2020)
Journal Article
Hope, M. A., Rinkel, B. L. D., Gunnarsdóttir, A. B., Märker, K., Menkin, S., Paul, S., …Grey, C. P. (2020). Selective NMR observation of the SEI–metal interface by dynamic nuclear polarisation from lithium metal. Nature Communications, 11(1), Article 2224. https://doi.org/10.1038/s41467-020-16114-x

While lithium metal represents the ultimate high-energy-density battery anode material, its use is limited by dendrite formation and associated safety risks, motivating studies of the solid–electrolyte interphase layer that forms on the lithium, whic... Read More about Selective NMR observation of the SEI–metal interface by dynamic nuclear polarisation from lithium metal.

Polar surface structure of oxide nanocrystals revealed with solid-state NMR spectroscopy (2019)
Journal Article
Chen, J., Wu, X. P., Hope, M. A., Qian, K., Halat, D. M., Liu, T., …Peng, L. (2019). Polar surface structure of oxide nanocrystals revealed with solid-state NMR spectroscopy. Nature Communications, 10(1), Article 5420. https://doi.org/10.1038/s41467-019-13424-7

© 2019, The Author(s). Compared to nanomaterials exposing nonpolar facets, polar-faceted nanocrystals often exhibit unexpected and interesting properties. The electrostatic instability arising from the intrinsic dipole moments of polar facets, howeve... Read More about Polar surface structure of oxide nanocrystals revealed with solid-state NMR spectroscopy.

DNP-NMR of surface hydrogen on silicon microparticles (2019)
Journal Article
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. https://doi.org/10.1016/j.ssnmr.2019.04.008

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 def... Read More about DNP-NMR of surface hydrogen on silicon microparticles.

Ion exchange and binding in selenium remediation materials using DNP-enhanced solid-state NMR spectroscopy (2019)
Journal Article
Mais, M., Torroba, J., Barrow, N. S., Paul, S., & Titman, J. J. (2019). Ion exchange and binding in selenium remediation materials using DNP-enhanced solid-state NMR spectroscopy. Solid State Nuclear Magnetic Resonance, 98, 19-23. https://doi.org/10.1016/j.ssnmr.2019.01.004

Selenate-loaded selenium water remediation materials based on polymer fibres have been investigated by dynamic nuclear polarization (DNP) enhanced solid-state NMR. For carbon-13 a significant reduction in experiment time is obtained with DNP even whe... Read More about Ion exchange and binding in selenium remediation materials using DNP-enhanced solid-state NMR spectroscopy.

Fast detection and structural identification of carbocations on zeolites by dynamic nuclear polarization enhanced solid-state NMR (2018)
Journal Article
Xiao, D., Xu, S., Brownbill, N. J., Paul, S., Chen, L., Pawsey, S., …Blanc, F. (2018). Fast detection and structural identification of carbocations on zeolites by dynamic nuclear polarization enhanced solid-state NMR. Chemical Science, 9(43), 8184-8193. https://doi.org/10.1039/c8sc03848a

Acidic zeolites are porous aluminosilicates used in a wide range of industrial processes such as adsorption and catalysis. The formation of carbocation intermediates plays a key role in reactivity, selectivity and deactivation in heterogeneous cataly... Read More about Fast detection and structural identification of carbocations on zeolites by dynamic nuclear polarization enhanced solid-state NMR.

Understanding Fluoroethylene Carbonate and Vinylene Carbonate Based Electrolytes for Si Anodes in Lithium Ion Batteries with NMR Spectroscopy (2018)
Journal Article
Jin, Y., Kneusels, N. J. H., Marbella, L. E., Castillo-Martínez, E., Magusin, P. C., Weatherup, R. S., …Grey, C. P. (2018). Understanding Fluoroethylene Carbonate and Vinylene Carbonate Based Electrolytes for Si Anodes in Lithium Ion Batteries with NMR Spectroscopy. Journal of the American Chemical Society, 140(31), 9854-9867. https://doi.org/10.1021/jacs.8b03408

© 2018 American Chemical Society. Fluoroethylene carbonate (FEC) and vinylene carbonate (VC) are widely used as electrolyte additives in lithium ion batteries. Here we analyze the solid electrolyte interphase (SEI) formed on binder-free silicon nanow... Read More about Understanding Fluoroethylene Carbonate and Vinylene Carbonate Based Electrolytes for Si Anodes in Lithium Ion Batteries with NMR Spectroscopy.

Dynamic nuclear polarisation enhanced solid-state nuclear magnetic resonance studies of surface modification of γ-alumina (2018)
Journal Article
Mais, M., Paul, S., Barrow, N. S., & Titman, J. J. (2018). Dynamic nuclear polarisation enhanced solid-state nuclear magnetic resonance studies of surface modification of γ-alumina. Johnson Matthey Technology Review, 62(3), 271-278. https://doi.org/10.1595/205651318x696765

Dynamic nuclear polarization (DNP) gives large (>100-fold) signal enhancements in solid-state NMR spectra via the transfer of spin polarization from unpaired electrons from radicals implanted in the sample. This means that the detailed information ab... Read More about Dynamic nuclear polarisation enhanced solid-state nuclear magnetic resonance studies of surface modification of γ-alumina.

Surface-sensitive NMR detection of the solid electrolyte interphase layer on reduced graphene oxide (2017)
Journal Article
Leskes, M., Kim, G., Liu, T., Michan, A. L., Aussenac, F., Dorffer, P., …Grey, C. P. (2017). Surface-sensitive NMR detection of the solid electrolyte interphase layer on reduced graphene oxide. Journal of Physical Chemistry Letters, 8(5), https://doi.org/10.1021/acs.jpclett.6b02590

Forming a stable solid electrolyte interphase (SEI) is critical for rechargeable batteries’ performance and lifetime. Understanding its formation requires analytical techniques that provide molecular-level insight. Here, dynamic nuclear polarization... Read More about Surface-sensitive NMR detection of the solid electrolyte interphase layer on reduced graphene oxide.

Surface-selective direct 17O DNP NMR of CeO2 nanoparticles (2017)
Journal Article
Hope, M. A., Halat, D. M., Magusin, P. C., Paul, S., Peng, L., & Grey, C. P. (2017). Surface-selective direct 17O DNP NMR of CeO2 nanoparticles. Chemical Communications, 53(13), https://doi.org/10.1039/c6cc10145c

Surface-selective direct 17O DNP has been demonstrated for the first time on CeO2 nanoparticles, for which the first three layers can be distinguished with high selectivity. Polarisation build-up curves show that the polarisation of the (sub-)surface... Read More about Surface-selective direct 17O DNP NMR of CeO2 nanoparticles.

Welcoming natural isotopic abundance in solid-state NMR: probing π-stacking and supramolecular structure of organic nanoassemblies using DNP (2016)
Journal Article
Märker, K., Paul, S., Fernández-de-Alba, C., Lee, D., Mouesca, J., Hediger, S., & De Paëpe, G. (2017). Welcoming natural isotopic abundance in solid-state NMR: probing π-stacking and supramolecular structure of organic nanoassemblies using DNP. Chemical Science, 8(2), 974-987. https://doi.org/10.1039/C6SC02709A

The self-assembly of small organic molecules is an intriguing phenomenon, which provides nanoscale structures for applications in numerous fields from medicine to molecular electronics. Detailed knowledge of their structure, in particular on the supr... Read More about Welcoming natural isotopic abundance in solid-state NMR: probing π-stacking and supramolecular structure of organic nanoassemblies using DNP.