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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Zunino, F., Dhandapani, Y., Ben Haha, M., Skibsted, J., Joseph, S., Krishnan, S., Parashar, A., Juenger, M. C. G., Hanein, T., Bernal, S. A., Scrivener, K. L. & Avet, F. (2022). Hydration and mixture design of calcined clay blended cements: review by the RILEM TC 282-CCL. Materials and Structures/Materiaux et Constructions, 55(9), Article 234. https://doi.org/10.1617/s11527-022-02060-1

Zhou, B., Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2005). Structure refinement of CsNO₃(II) by coupling of ¹⁴N MAS NMR experiments with WIEN2k DFT calculations. Chemical Physics Letters, 402, 133-137.

Zhou, C., Grinderslev, J., Skov, L. N., Jørgensen, M., Li, Y., Skibsted, J., Yan, Y. & Jensen, T. R. (2022). Polymorphism, ionic conductivity and electrochemical properties of lithium closo-deca- and dodeca-borates and their composites, Li ₂B ₁₀H ₁₀-Li ₂B ₁₂H ₁₂. Journal of Materials Chemistry A, 10(30), 16137-16151. https://doi.org/10.1039/D2TA00337F

Zajac, M., Skibsted, J., Skocek, J., Durdzinski, P., Bullerjahn, F. & Ben Haha, M. (2020). Phase assemblage and microstructure of cement paste subjected to enforced, wet carbonation. Cement and Concrete Research, 130(April), Article 105990. https://doi.org/10.1016/j.cemconres.2020.105990

Zajac, M., Skibsted, J., Durdzinski, P., Bullerjahn, F., Skocek, J. & Ben Haha, M. (2020). Kinetics of enforced carbonation of cement paste. Cement and Concrete Research, 131, Article 106013. https://doi.org/10.1016/j.cemconres.2020.106013

Zajac, M., Skocek, J., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). Effect of carbonated cement paste on composite cement hydration and performance. Cement and Concrete Research, 134, Article 106090. https://doi.org/10.1016/j.cemconres.2020.106090

Zajac, M., Lechevallier, A., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). CO2 mineralisation of Portland cement: Towards understanding the mechanisms of enforced carbonation. Journal of CO2 Utilization, 38, 398-415. https://doi.org/10.1016/j.jcou.2020.02.015

Zajac, M., Skibsted, J. & Ben Haha, M. (2021). Effect of alkalis on enforced carbonation of cement paste: Mechanism of reaction. Journal of the American Ceramic Society, 104(2), 1076-1087. https://doi.org/10.1111/jace.17481

Zajac, M., Skibsted, J., Durdzinski, P. & Ben Haha, M. (2021). Effect of alkalis on products of enforced carbonation of cement paste. Construction and Building Materials, 291, Article 123203. https://doi.org/10.1016/j.conbuildmat.2021.123203

Zajac, M., Skocek, J., Skibsted, J. & Ben Haha, M. (2021). Co₂ mineralization of demolished concrete wastes into a supplementary cementitious material – a new ccu approach for the cement industry. RILEM Technical Letters, 6, 53-60. https://doi.org/10.21809/rilemtechlett.2021.141

Zajac, M., Skibsted, J., Lothenbach, B., Bullerjahn, F., Skocek, J. & Ben Haha, M. (2022). Effect of sulfate on CO₂ binding efficiency of recycled alkaline materials. Cement and Concrete Research, 157, Article 106804. https://doi.org/10.1016/j.cemconres.2022.106804

Zajac, M., Skibsted, J., Bullerjahn, F. & Skocek, J. (2022). Semi-dry carbonation of recycled concrete paste. Journal of CO2 Utilization, 63, Article 102111. https://doi.org/10.1016/j.jcou.2022.102111

Zajac, M., Maruyama, I., Iizuka, A. & Skibsted, J. (2023). Enforced carbonation of cementitious materials. Cement and Concrete Research, 174, Article 107285. https://doi.org/10.1016/j.cemconres.2023.107285

Zajac, M., Song, J., Skocek, J., Ben Haha, M. & Skibsted, J. (2023). Composite cements with aqueous and semi-dry carbonated recycled concrete pastes. Construction and Building Materials, 407, Article 133362. https://doi.org/10.1016/j.conbuildmat.2023.133362

Yang, S.-Y., Yan, Y., Lothenbach, B. & Skibsted, J. (2021). Incorporation of Sodium and Aluminum in Cementitious Calcium-Alumino-Silicate-Hydrate C‑(A)-S‑H Phases Studied by ²³Na, ²⁷Al, and ²⁹Si MAS NMR Spectroscopy. Journal of Physical Chemistry C, 125(51), 27975-27995. https://doi.org/10.1021/acs.jpcc.1c08419

Yang, S. Y. & Skibsted, J. (2024). Sodium Sites and Hydration State in C-S-H Phases Synthesized under Alkaline Conditions from ¹H and ²³Na NMR Experiments. Journal of Physical Chemistry C, 128(26), 10888-10902. https://doi.org/10.1021/acs.jpcc.4c01982

Yan, Y., Grinderslev, J. B., Jo̷rgensen, M., Skov, L. N., Skibsted, J. & Jensen, T. R. (2020). Ammine Magnesium Borohydride Nanocomposites for All-Solid-State Magnesium Batteries. ACS Applied Energy Materials, 3(9), 9264-9270. https://doi.org/10.1021/acsaem.0c01599

Yan, Y., Yang, S. Y., Miron, G. D., Collings, I. E., L'Hôpital, E., Skibsted, J., Winnefeld, F., Scrivener, K. & Lothenbach, B. (2022). Effect of alkali hydroxide on calcium silicate hydrate (C-S-H). Cement and Concrete Research, 151, Article 106636. https://doi.org/10.1016/j.cemconres.2021.106636

Yan, Y., Grinderslev, J. B., Burankova, T., Wei, S., Embs, J. P., Skibsted, J. & Jensen, T. R. (2022). Fast Room-Temperature Mg²⁺ Conductivity in Mg(BH₄)₂·1.6NH₃-Al₂O₃ Nanocomposites. The Journal of Physical Chemistry Letters, 13(9), 2211-2216. https://doi.org/10.1021/acs.jpclett.2c00136

Wodarz, S., Slaby, N. A., Zimmermann, M. C., Otto, T. N., Holzinger, J., Skibsted, J., Zevaco, T. A., Pitter, S. & Sauer, J. (2020). Shaped Hierarchical H-ZSM-5 Catalysts for the Conversion of Dimethyl Ether to Gasoline. Industrial and Engineering Chemistry Research, 59(40), 17689-17707. https://doi.org/10.1021/acs.iecr.9b06256

Weil, M., Puchberger, M., Füglein, E., Baran, E. J., Vannahme, J., Jakobsen, H. J. & Skibsted, J. B. (2007). Single-Crystal Growth and Characterization of Disilver(I) Monofluorophosphate(V), Ag₂PO₃F: Crystal Structure, Thermal Behavior, Vibrational Spectroscopy, and Solid-State ¹⁹F, ³¹P, and ¹⁰⁹Ag MAS NMR Spectroscopy: . Inorg. Chem., 46(3), 801-808.

Vosegaard, T., Skibsted, J., Bildsøe, H. & Jakobsen, H. J. (1999). Solid-state ⁸⁷Rb NMR of RbVO₃. A comparison of experiments for retrieving chemical shielding and quadrupole coupling tensorial interactions. Solid State Nuclear Magnetic Resonance, 14(3-4), 203-210. https://doi.org/10.1016/S0926-2040(99)00021-1

Vosegaard, T., Skibsted, J. & Jakobsen, H. J. (1999). Characterization of Mo(CO)₆ by ⁹⁵Mo Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103(45), 9144-9149. https://doi.org/10.1021/jp9922615

Vosegaard, T., Skibsted, J., Bildsøe, H. K. & Jakobsen, H. J. (1996). Quadrupole Coupling and Anisotropic Shielding from Single-Crystal NMR of the Central Transition for Quadrupolar Nuclei. ⁸⁷Rb NMR of RbClO₄ and Rb₂SO₄. Journal of Magnetic Resonance, 122(2), 111-119. https://doi.org/10.1006/jmra.1996.0186

Vosegaard, T., Skibsted, J., Bildsøe, H. & Jakobsen, H. J. (1995). Combined Effect of second-Order Quadrupole Coupling and Chemical Shielding Anisotropy on the Central Transition in MAS NMR of Quadrupolar Nuclei. ⁸⁷Rb MAS NMR of RbClO₄. Journal of Physical Chemistry, 99(27), 10731-10735. https://doi.org/10.1021/j100027a009

Vigna, E. & Skibsted, J. (2015). Optimization of alkali activated Portland cement – calcined clay blends based on the phase assemblage in the Na₂O-CaO-Al₂O₃-SiO₂-H₂O system. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 101-107). Springer. https://doi.org/10.1007/978-94-017-9939-3_13

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2009). Site Preferences of Fluoride Guest Ions in the Calcium Silicate Phases of Portland Cement from ²⁹Si{¹⁹F} CP-REDOR NMR Spectroscopy. Journal of the American Chemical Society, 131(40), 14170-14171. https://doi.org/10.1021/ja905223d

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2009). Incorporation of Fluoride Guest-Ions in the Calcium Silicate Phases of Portland Cement: A ¹⁹F, ²⁷Al and ²⁹Si MAS NMR Study. Paper presented at IBAUSIL, Weimar, Germany.

Tran, T. T., Poulsen, S. L., Jansang, B., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2010). Characterization of guest-ion incorporation and site preferences in alite and belite in Portland cements by MAS NMR experiments and Density Functional Theory calculations. Extended Abstracts of the 30th Cement and Concrete Science Conference, Birmingham, September 13 – 15, 2010, England, 93-96.

Tran, T. T., Poulsen, S. L., Jansang, B., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2010). Characterization of Guest-Ion Incorporation and Site Preferences in Alite and Belite in Portland Cement by MAS NMR Experiments and Density Functional Theory Calculations (In russian). Journal Cement, (November-December), 57-59.

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2011). Site Preferences of F^-, Al³⁺ and Fe³⁺ Guest Ions in the Calcium Silicate Phases of Portland cement from Solid-State NMR Spectroscopy. In XIII International Congress on the Chemistry of Cement (ICCC) (Vol. Area 1, p. 13).

Tran, T. T., López, S. A. B., Herfort, D. & Skibsted, J. (2011). Characterization of the Network Structure of Alkali-activated Aluminosilicate Binders by Single- and Double-Resonance ²⁹Si{²⁷Al} MAS NMR Experiments. In 10th International Congress for Applied Mineralogy (ICAM)

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2012). Site Preferences of F-, Al3+ and Fe3+ Guest Ions in the Calcium Silicate Phases of Portland cement from Solid-State NMR Spectroscopy (in russian). Cement and its applications, issue 6 for 2011(p. 54-58).

Tran, T. T., Bildsøe, H. K., Jakobsen, H. J. & Skibsted, J. (2012). Double cross-polarization MAS NMR in the assignment of abundant-spin resonances: 19F–{29Si}–19F FBCP/MAS NMR of fluoride ions incorporated in calcium silicate hydrate (C–S–H) phases. Journal of Magnetic Resonance, 221, 19-23.

Tran, T. T. & Skibsted, J. (2012). Structural environments of fluoride ions in C-S-H phases of Portland cement from 19F and 29Si MAS NMR spectroscopy. Paper presented at 18th IBAUSIL, Weimar, Germany.

Thomsen, R. M., Garzón, S. F., Herfort, D., Skibsted, J. & Yue, Y. (2017). Physical performances of alkali-activated portland cement-glass-limestone blends. Journal of the American Ceramic Society, 100(9), 4159-4172. https://doi.org/10.1111/jace.14955

Thomsen, R. M., Skibsted, J. & Yue, Y. (2018). The Charge-Balancing Role of Calcium and Alkali Ions in Per-Alkaline Aluminosilicate Glasses. Journal of Physical Chemistry B, 122(12), 3184-3195. https://doi.org/10.1021/acs.jpcb.7b12437

Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.

Stöger, B., Weil, M. & Skibsted, J. (2013). The crystal structure of BaPO₃ revisited - a combined X-ray diffraction and solid-state ¹⁹F, ³¹P MAS NMR study. Dalton Transactions (Print Edition), 42(32), 11672-11682. https://doi.org/10.1039/C3DT50373A

Stöger, B., Weil, M. & Skibsted, J. (2013). The crystal structure of BaPO3F revisited - a combined X-ray diffraction and solid-state F-19, P-31 MAS NMR study. Dalton Transactions (Print Edition), 42, 11672-11582. https://doi.org/10.1039/c3dt50373a

Steenberg, M., Herfort, D., Poulsen, S. L., Skibsted, J. & Damtoft, J. S. (2011). Composite cement based on Portland cement clinker, limestone and calcined clay. XIII International Congress on the Chemistry of Cement, 97.

Sørensen, M. K., Bakharev, O., Jensen, O., Jakobsen, H. J., Skibsted, J. & Nielsen, N. C. (2014). Magic-angle spinning solid-state multinuclear NMR on low-field instrumentation. Journal of Magnetic Resonance, 238, 20-25. https://doi.org/10.1016/j.jmr.2013.10.015

Sommer, S., Iversen, B. B., Lock, N., Skibsted, J., Kasai, H. & Bøjesen, E. D. (2019). Defects wrongly modelled as inversion: The case of ZnAl₂O₄ spinels . Poster session presented at european crystallographic meeting , Wien, Austria.

Sommer, S., Bøjesen, E. D., Lock, N., Kasai, H., Skibsted, J., Nishibori, E. & Iversen, B. B. (2020). Probing the validity of the spinel inversion model: a combined SPXRD, PDF, EXAFS and NMR study of ZnAl₂O₄. Dalton Transactions, 49(38), 13449-13461. https://doi.org/10.1039/d0dt02795b

Sobhani, S., Zarifi, F. & Skibsted, J. (2016). One-pot synthesis of terminal vinylphosphonates catalyzed by pyridine grafted GO as reusable acid-base bifunctional catalyst. ChemistrySelect, 1(11), 2945-2951. https://doi.org/10.1002/slct.201600517

Sobhani, S., Zarifi, F. & Skibsted, J. (2017). Immobilized Lanthanum(III) Triflate on Graphene Oxide as a New Multifunctional Heterogeneous Catalyst for the One-Pot Five-Component Synthesis of Bis(pyrazolyl)methanes. ACS Sustainable Chemistry & Engineering, 5(6), 4598-4606. https://doi.org/10.1021/acssuschemeng.6b03047

Sobhani, S., Zarifi, F. & Skibsted, J. (2017). Ionic liquids grafted onto graphene oxide as a new multifunctional heterogeneous catalyst and its application in the one-pot multi-component synthesis of hexahydroquinolines. New Journal of Chemistry, 41(14), 6219-6225. https://doi.org/10.1039/c7nj00063d

Sobhani, S., Hosseini Moghadam, H., Skibsted, J. & Sansano, J. M. (2020). A hydrophilic heterogeneous cobalt catalyst for fluoride-free Hiyama, Suzuki, Heck and Hirao cross-coupling reactions in water. Green Chemistry, 22(4), 1353-1365. https://doi.org/10.1039/c9gc03455b

Snellings, R., Suraneni, P. & Skibsted, J. (2023). Future and emerging supplementary cementitious materials. Cement and Concrete Research, 171, Article 107199. https://doi.org/10.1016/j.cemconres.2023.107199

Skibsted, J., Hall, C. & Jakobsen, H. J. (2002). Nuclear magnetic resonance spectroscopy and magnetic resonance imaging of cements and cement-based materials. In J. Bensted & P. B. (Eds.), Structure and Performance of Cements (2. ed., pp. 457-476). Spon press.

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Revised 17.04.2023

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Lise Refstrup Linnebjerg Pedersen