Department of Chemistry

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 Department of Chemistry Research Research areas and groups Inorganic chemistry Local Structure of Functional Materials Publications

Publications

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Tolborg, K., Jørgensen, M. R. V., Christensen, S., Kasai, H., Becker, J., Walter, P., Dippel, A. C., Als-Nielsen, J. & Iversen, B. B. (2017). Accurate charge densities from powder X-ray diffraction - a new version of the Aarhus vacuum imaging-plate diffractometer. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 73(4), 521-530. https://doi.org/10.1107/S2052520617006357
Zhang, J., Song, L., Mamakhel, M. A. H., Jørgensen, M. R. V. & Iversen, B. B. (2017). High-Performance Low-Cost n-Type Se-Doped Mg3Sb2-Based Zintl Compounds for Thermoelectric Application. Chemistry of Materials, 29(12), 5371-5383. https://doi.org/10.1021/acs.chemmater.7b01746
Knudsen, E. B., Willendrup, P. K., Garde, J., Jørgensen, M. R. V. & Kantor, I. (2017). McXtrace 1.4: latest developments in the new release. In Advances in Computational Methods for X-Ray Optics IV : Proceedings Volume 10388 (Vol. 1038809). Article 1038809 SPIE - International Society for Optical Engineering. https://doi.org/10.1117/12.2274416
Jørgensen, M. R. V., Piccoli, P. M. B., Hathwar, V. R., Wang, X., Hoffmann, C. M., Yakovenko, A. A., Halder, G. J., Schlueter, J. A., Iversen, B. B. & Schultz, A. J. (2017). Neutron and X-ray investigations of the Jahn-Teller switch in partially deuterated ammonium copper Tutton salt, (NH4)2[Cu(H2O)6](SO4)2. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 73(1), 87-93. https://doi.org/10.1107/S2052520616018412
Andersen, C. W., Borfecchia, E., Bremholm, M., Jørgensen, M. R. V., Vennestrøm, P. N. R., Lamberti, C., Lundegaard, L. F. & Iversen, B. B. (2017). Redox-Driven Migration of Copper Ions in the Cu-CHA Zeolite as Shown by the In Situ PXRD/XANES Technique. Angewandte Chemie International Edition, 56(35), 10367-10372. https://doi.org/10.1002/anie.201703808
Nørby, P., Ry Vogel Jørgensen, M., Johnsen, S. & Iversen, B. B. (2016). Bismuth Iodide Hybrid Organic-Inorganic Crystal Structures and Utilization in Formation of Textured BiI3 Film. European Journal of Inorganic Chemistry, 9(9), 1389-1394. https://doi.org/10.1002/ejic.201501418
Cassidy, A., Jørgensen, M. R. V., Rosu-Finsen, A., Lasne, J., Jørgensen, J. H., Glavic, A., Lauter, V., Iversen, B. B., McCoustra, M. R. S. & Field, D. (2016). Dipole-Oriented Molecular Solids Can Undergo a Phase Change and Still Maintain Electrical Polarization. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 120(42), 24130-24136. https://doi.org/10.1021/acs.jpcc.6b07296
Wahlberg, N., Bindzus, N., Christensen, S., Becker, J., Dippel, A.-C., Jørgensen, M. R. V. & Iversen, B. B. (2016). Low-temperature powder X-ray diffraction measurements in vacuum: analysis of the thermal displacement of copper. Journal of Applied Crystallography, 49(1), 110-119. Article 10. https://doi.org/10.1107/S1600576715022621
Wolf, H., Jørgensen, M. R. V., Chen, Y. S., Herbst-Irmer, R. & Stalke, D. (2015). Charge density investigations on [2,2]-paracyclophane - In data we trust. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 71(1), 10-19. https://doi.org/10.1107/S2052520614026080
Pramanick, A., Wang, X. P., Hoffmann, C., Diallo, S. O., Jørgensen, M. R. V. & Wang, X.-L. (2015). Microdomain dynamics in single-crystal BaTiO3 during paraelectric-ferroelectric phase transition measured with time-of-flight neutron scattering. Physical Review B, 92, Article 174103. https://doi.org/10.1103/PhysRevB.92.174103
Pramanick, A., Jørgensen, M. R. V., Diallo, S. O., Christianson, A. D., Fernandez-Baca, J. A., Hoffmann, C., Wang, X., Lan, S. & Wang, X.-L. (2015). Nanoscale Atomic Displacements Ordering for Enhanced Piezoelectric Properties in Lead-Free ABO3 Ferroelectrics. Advanced Materials, 27(29), 4330-4335. https://doi.org/10.1002/adma.201501274
Wahlberg, N., Bindzus, N., Bjerg, L., Becker, J., Christensen, S., Dippel, A. C., Jørgensen, M. R. V. & Iversen, B. B. (2015). Powder X‑ray Diffraction Electron Density of Cubic Boron Nitride. The Journal of Physical Chemistry Part C, 119(11), 6164-6173. https://doi.org/10.1021/jp511985d
Hathwar, V. R., Sist, M., Jørgensen, M. R. V., Mamakhel, M. A. H., Wang, X., Hoffmann, C. M., Sugimoto, K., Overgaard, J. & Iversen, B. B. (2015). Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ, 2(5), 563-574. https://doi.org/10.1107/S2052252515012130
Jørgensen, M. R. V., Hathwar, V. R., Sist, M., Wang, X., Hoffmann, C., Briseno, A. L., Overgaard, J. & Iversen, B. B. (2014). Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ. Acta Crystallographica Section A: Foundations and Advances, 70(6), 679-681. https://doi.org/10.1107/S2053273314015599
Schmøkel, M. S., Bjerg, L., Cenedese, S., Jørgensen, M. R. V., Chen, Y.-S., Overgaard, J. & Iversen, B. B. (2014). Atomic properties and chemical bonding in the pyrite and marcasite polymorphs of FeS2: A combined experimental and theoretical electron density study. Chemical Science, 5(4), 1408-1421. https://doi.org/10.1039/c3sc52977k
Wu, L.-C., Thomsen, M. K., Madsen, S. R., Schmøkel, M. S., Jørgensen, M. R. V., Cheng, M.-C., Peng, S.-M., Chen, Y.-S., Overgaard, J. & Iversen, B. B. (2014). Chemical Bonding in a Linear Chromium Metal String Complex. Inorganic Chemistry, 53(23), 12489-12498. https://doi.org/10.1021/ic501603x
Jørgensen, M. R. V., Hathwar, V. R., Bindzus, N., Wahlberg, N., Chen, Y.-S., Overgaard, J. & Iversen, B. B. (2014). Contemporary X-ray electron-density studies using synchrotron radiation. IUCrJ, 1(5), 267-280. https://doi.org/10.1107/S2052252514018570
Clausen, H. F., Jørgensen, M. R. V., Cenedese, S., Schmøkel, M. S., Christensen, M., Chen, Y.-S., Koutsantonis, G. A., Overgaard, J., Spackman, M. & Iversen, B. B. (2014). Host Perturbation in a β-Hydroquinone Clathrate Studied by Combined X-ray/Neutron Charge-Density Analysis: Implications for Molecular Inclusion in Supramolecular Entities. Chemistry: A European Journal, 20(26), 8089-8098. https://doi.org/10.1002/chem.201400129
Schultz, A. J., Jørgensen, M. R. V., Wang, X., Mikkelson, R. L., Mikkelson, D. J., Lynch, V. E., Peterson, P. F., Green, M. L. & Hoffmann, C. M. (2014). Integration of neutron time-of-flight single-crystal Bragg peaks in reciprocal space. Journal of Applied Crystallography, 47(3), 915-921. https://doi.org/10.1107/S1600576714006372
Wolf, H., Leusser, D., Jørgensen, M. R. V., Herbst-Irmer, R., Chen, Y. S., Scheidt, E. W., Scherer, W., Iversen, B. B. & Stalke, D. (2014). Phase Transition of [2,2]-Paracyclophane - An End to an Apparently Endless Story. Chemistry: A European Journal, 20(23), 7048-7053. https://doi.org/10.1002/chem.201304972
Overgaard, J., Walsh, J. P. S., Hathwar, V. R., Jørgensen, M. R. V., Hoffman, C., Platts, J. A., Pilz, R. & Winpenny, R. E. P. (2014). Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes. Inorganic Chemistry, 53(21), 11531-11539. https://doi.org/10.1021/ic501411w
Jørgensen, M. R. V., Cenedese, S., Clausen, H. F., Overgaard, J., Chen, Y.-S., Gatti, C. & Iversen, B. B. (2013). Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO)2(H2O)2. Inorganic Chemistry, 52(1), 297-305. https://doi.org/10.1021/ic301918x
Scheins, S., Overgaard, J., Timco, G. A., Stash, A., Chen, Y.-S., Larsen, F. K., Christensen, M., Jørgensen, M. R. V., Madsen, S. R., Schmøkel, M. S. & Iversen, B. B. (2013). Pressure versus Temperature Effects on Intramolecular Electron Transfer in Mixed-Valence Complexes. Chemistry: A European Journal, 19(1), 195-205. https://doi.org/10.1002/chem.201201669
Jørgensen, M. R. V., Skovsen, I., Clausen, H. F., Mi, J.-L., Christensen, M., Nishibori, E., Spackman, M. A. & Iversen, B. B. (2012). Application of Atomic Hirshfeld Surface Analysis to Intermetallic Systems: Is Mn in Cubic CeMnNi4 a Thermoelectric Rattler atom? Inorganic Chemistry, 51(3), 1916-1924. https://doi.org/10.1021/ic202231k
Jørgensen, M. R. V., Svendsen, H., Schmøkel, M. S., Overgaard, J. & Iversen, B. B. (2012). On the significance of Bragg reflections. Acta Crystallographica Section A: Foundations and Advances, 68(2), 301-303. https://doi.org/10.1107/S0108767312003066
Nørby, P., Johnsen, S., Jørgensen, M. R. V. & Iversen, B. B. (2012). Solution processing of semiconductor films. Poster session presented at 10th iNANO Annual Meeting, Aarhus, Denmark.
Schmøkel, M. S., Cenedese, S., Overgaard, J., Jørgensen, M. R. V., Chen, Y.-S., Gatti, C., Stalke, D. & Iversen, B. B. (2012). Testing the Concept of Hypervalency: Charge Density Analysis of K2SO4. Inorganic Chemistry, 51(15), 8607-8616. https://doi.org/10.1021/ic301372m
Svendsen, H., Jørgensen, M. R. V., Overgaard, J., Chen, Y.-S., Chastanet, G., Létard, J.-F., Kato, K., Takata, M. & Iversen, B. B. (2011). Analysis of the photo-magnetic properties of cyano-bridged hetero-bimetallic complexes by X-ray diffraction. Inorganic Chemistry, 50(21), 10974-10984. https://doi.org/10.1021/ic2015258
Jørgensen, M. R. V., Clausen, H. F., Christensen, M., Poulsen, R. D., Overgaard, J. & Iversen, B. B. (2011). Crystal Structures and Physical Properties of Three New Manganese-Based Coordination Polymers with p-Biphenyldicarboxylic Acid Linkers. European Journal of Inorganic Chemistry, 2011(4), 549-555. https://doi.org/10.1002/ejic.201001001
Jørgensen, M. R. V., Christensen, M., Schmøkel, M. S. & Iversen, B. B. (2011). Magnetic Structure of Ni(DCOO)2(D2O)2. Inorganic Chemistry, 50, 1441. https://doi.org/10.1021/ic102008a

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