Publications

Please browse this site for information on some of our projects that have been published with NMR Service as an (co-)author and/or with our equipment involved in the research. We are always open to publish method developments and applications of our products with you. Please do not hesitate to contact us if you are interested in a collaboration (publication, proposals, etc.).

 

We are always updating this site – please do let us know if we missed a publication or if you need further information and/or help with accessing the publications.

Solid-state NMR on energy storage materials

  • V. L. Deringer, C Merlet, J. A. Kattirtzi, T. H. Lee, Y. Hu, O. Pecher, S. R. Elliott, C. P. Grey, G. Csányi. Toward an Atomistic Understanding of Disordered Carbon Electrode Materials. Chem. Commun. 2018, 54, 5988-5991. DOI: 10.1039/C8CC01388H
  • Pieter C. M. M. Magusin, Ieuan Seymour, Oliver Pecher, Clare P. Grey. NMR on Electrochemical Storage Materials (Chapter 11). New Developments in NMR No. 15, Modern Methods in Solid-state NMR: A Practitioner’s Guide (Editor Paul Hodgkinson). The Royal Society of Chemistry, 09 April 2018. Print ISBN 978-1-78262-854-5; PDF eISBN: 978-1-78801-046-7; ePub eISBN: 978-1-78801-419-9.
  • J. M. Stratford, M. Mayo, P. K. Allan, O. Pecher, O. J. Borkiewicz, K. M. Wiaderek, K. A. Chapman, C. J. Pickard, A. J. Morris, C. P. Grey. Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory and Solid-State NMR Approach. J. Am. Chem. Soc. 2017, 139 (21), 7273-7286. DOI: 10.1021/jacs.7b01398
  • L. E. Marbella and O. Pecher. Einblicke in Echtzeit: Untersuchungen an Batteriematerialien. (English: Real-time Insights: Investigations on Battery Materials). Nachr. Chem. 2017, 65, 1213-1218. DOI: 10.1002/nadc.20174067376
  • O. Pecher, J. Carretero-González, K. J. Griffith, C. P. Grey. Materials’ Methods: NMR in Battery Research. Chem. Mater. 2017, 29, 213-242. DOI: 10.1021/acs.chemmater.6b03183
  • J. M. Stratford, P. K. Allan, O. Pecher, P. A. Chater, C. P. Grey. Mechanistic insights into sodium storage in hard carbon anodes using local structure probes. Chem. Commun. 2016, 52, 12430-12433. DOI: 10.1039/C6CC06990H
  • O. Pecher, A. Vyalikh, C. P. Grey. Challenges and new opportunities of in situ NMR characterization of electrochemical processes. AIP Conference Proceedings 2016, 1765, 020011. DOI: 10.1063/1.4961903

ATMC in situ NMR probe and eATM ROBOT system

  • O. Pecher, D. M. Halat, J. Lee, Z. Liu, K. J. Griffith, M. Braun, C. P. Grey. Enhanced efficiency of solid-state NMR investigations of energy materials via the external Automatic Tuning/Matching (eATM) robot. J. Magn. Reson. 2017, 275, 127-136. DOI: 10.1016/j.jmr.2016.12.008
  • O. Pecher, P. M. Bayley, H. Liu , Z. Liu, N. M. Trease, C. P. Grey. Automatic Tuning Matching Cycler (ATMC) in situ NMR spectroscopy as a novel approach for real-time investigations of Li- and Na-ion batteries. J. Magn. Reson. 2016, 265, 200-209. DOI: 10.1016/j.jmr.2016.02.008

Automatic tuning/matching and goniometer NMR probe

  • O. E. O. Zeman, C. Hoch, R. Hochleitner, T. Bräuniger. NMR interaction tensors of 51V and 207Pb in vanadinite, Pb5(VO4)3Cl, determined from DFT calculations and single-crystal NMR measurements, using only one general rotation axis. Solid State NMR 2018, 89, 11-20.
  • O. E. O. Zeman, I. L. Moudrakovski, C. Hoch, R. Hochleitner, W. W. Schmahl, K. Karaghiosoff, T. Bräuniger. Determination of the 31P and 207Pb chemical shift tensors in Pyromorphite, Pb5(PO4)3Cl, by single-crystal NMR measurements and DFT calculations. Z. Anorg. Allg. Chem. 2017, 643, 1635-1641.
  • T. Bräuniger, B. Groh, I. L. Moudrakovski, S. Indris. Local electronic structure in LiAlO2 studied by single-crystal 27Al-NMR and DFT calculations. J. Phys. Chem. A 2016, 120, 7839-7846.
  • J.-P. Melchior, T. Bräuniger, A. Wohlfarth, G. Portale, K.-D. Kreuer. About the Interactions Controlling Nafion's Viscoelastic Properties and Morphology. Macromolecules 2015, 48, 8534-8545.
  • O. Pecher, B. Mausolf, K. Lamberts, D. Oligschläger, C. Niewieszol (née Merkens), U. Englert, F. Haarmann. The Solid Solution Sr1-xBaxGa2: Substitutional Disorder and Chemical Bonding Visited by NMR Spectroscopy and Quantum Mechanical Calculations. Chem. Eur. J. 2015, 21, 13971.
  • O. Pecher, F. Haarmann. Looking Into Intermetallic Phases. Nachr. Chem. 2013, 61, 1018.
  • F. Haarmann, K. Koch, P. Jeglič, O. Pecher, H. Rosner, Yu. Grin. NMR Spectroscopy of Intermetallic Compounds: An Experimental and Theoretical Approach to Local Atomic Arrangements in Binary Gallides. Chem. Eur. J. 2011, 17(27), 7560.
  • F. Haarmann, K. Koch, D. Grüner, W. Schnelle, O. Pecher, R. Cardoso-Gil, H. Borrmann, H. Rosner, Yu. Grin. Electronic Structure, Chemical Bonding, and Solid-State NMR Spectroscopy of the Digallides of Ca, Sr, and Ba. Chem. Eur. J. 2009, 15, 1673.
  • F. Haarmann, M. Armbrüster, Yu. Grin. Local Ordering in the Intermetallic Compound Cu1-xAl2 Studied by NMR Spectroscopy. Chem. Mater. 2007, 19, 1147.

Perspective: In situ NMR in Macromolecular Science!

  • H. W. Spiess. 50th Anniversary Perspective: The Importance of NMR Spectroscopy to Macromolecular Science. Macromolecules 2017, 50, 1761.

Pulsed high field NMR

  • B. Meier, J. Kohlrautz, J. Haase, M. Braun, F. Wolff-Fabris, E. Kampert, T. Herrmannsdörfer, J. Wosnitza. Nuclear magnetic resonance apparatus for pulsed high magnetic fields. Rev. Sci. Instrum. 2012, 83, 085106.

REDOR Box

  • F. A. Perras et al. Characterizing Substrate-Surface Interactions on Alumina-Supported Metal Catalysts by Dynamic Nuclear Polarization-Enhanced Double-Resonance NMR Spectroscopy. J. Am. Chem. Soc. 2017, 139, 2702.
  • C. Wang et al. Direct Detection of Supramolecular Reaction Centers in the Methanol-to-Olefins Conversion over Zeolite H-ZSM-5 by 13C–27Al Solid-State NMR Spectroscopy. Angew. Chem. Int. Ed. 2016, 55, 2507.
  • F. Pourpoint et al. Measurement of Aluminum–Carbon Distances Using S-RESPDOR NMR Experiments. Chem. Phys. Chem. 2012, 13, 3605.
  • D. Hirsemann et al. Covalent Grafting to μ-Hydroxy-Capped Surfaces? A Kaolinite Case Study. Chem. Mater. 2011, 23, 3152.

Coil developments

  • S. Leidich, M. Braun, T. Gessner, T. Riemer. Silicon Cylinder Spiral Coil for Nuclear Magnetic Resonance Spectroscopy of Nanoliter Samples. Concepts Magn. Reson. 2009, 35B, 11.