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Crystallography & Geomaterials Research

at the Faculty of Geosciences at the University of Bremen

Kristallographie & Geomaterialforschung

.

Publications

2022-


51.  Schmidt, E.M. & Simonov, A. (2024) Disentangling competing driving forces in disordered crystalline materials using a mean-field approach. Physical Review Materials, 8(11): Paper 113805 (8 pages), https://doi.org/10.1103/PhysRevMaterials.8.113805
50. Pokhrel, S., Stahl, J., Wang, L., Tang, R., Sun, H., Schalk, M., Schowalter, M., Rosenauer, A., Huang, J., Kiefer, J., Birkenstock, J. & Mädler, L. (2024) Photo Electrocatalytic Water Splitting Using Sn Doped In2S3 Homologous Series Synthesized in Oxygen Deficient Flame. Advanced Functional Materials, 34(49): Paper 2411521 (16 pages) , https://doi.org/10.1002/adfm.202411521
49. Reinders, L., Birkenstock, J., Pfeifer, S., Clauß, B. & Buchmeiser, M.R. (2024). Temperature-dependent structure-property relations in continuous mullite-based ceramic fibers. Ceramics International, 50 (11, Part A, 1 June 2024): 19048-19059, https://doi.org/10.1016/j.ceramint.2024.03.002.
48. Brauer, J. & Fischer, M.,(2024) Computational Screening of Hydrophobic Zeolites for the Removal of Emerging Organic Contaminants from Water. ChemPhysChem, 25(19); Paper e202400347 (13 pages),  https://doi.org/10.1002/cphc.202400347
47. Fischer, M., (2024) The gallophosphate cloverite – A promising adsorbent for environmental remediation … ?. Molecular Simulation, Latest Articles: 1-5, https://www.tandfonline.com/doi/full/10.1080/08927022.2024.2396088 .
46. Fischer, M., (2024) Adsorption of 5-fluorouracil, an anticancer drug, in faujasite-type zeolites: understanding storage and release with density functional theory calculations. CrystEngComm , 26: 3795-3807, https://doi.org/10.1039/D4CE00344F
45. Fischer, M. & Brauer, J. (2024) Studying the adsorption of emerging organic contaminants in zeolites with dispersion-corrected density functional theory calculations: From numbers to recommendations. ChemistryOpen, 13(7): Paper e202300273 (18 pages), https://doi.org/10.1002/open.202300273
44. Murshed, M. M.,Fischer, M.,, Koza, M. M. & Gesing, T. M. (2024) Thermal behaviors during lithium diffusion in Li0.4WO3 bronze studied by elastic and quasi-elastic neutron scattering. Phys. Chem. Chem. Phys. 26,  16191-16199. https://doi.org/10.1039/D4CP00752B
43. Reuter, C.S., Murshed, M. M., Fischer, M. & Gesing, T. M. (2024) Synthesis, characterization and structure-property relations in mullite-type Pb2(Pb1-x Snx)Z4  solid solution. Zeitschrift für Kristallographie - Crystalline Materials, 239 (9-10): 299-308, online.
42. Zibrowius, B. & Fischer, M. (2024) Front Cover: On the Use of Solomon Echoes in 27Al NMR Studies of Complex Aluminium Hydrides (ChemistryOpen 1/2024). ChemistryOpen, 13(1): e202300294. https://doi.org/10.1002/open.202300294 .
41.  Klar, P.B., Waterman G., Gruene T., Mullick D., Song Y., Gilchrist J.B., Owen C.D., Wen W., Biran I., Houben L., Regev-Rudzki N., Dzikowski R., Marom N.,  Palatinus. L., Zhang P., Leiserowitz L. & Elbaum M. (2024) Cryo-tomography and 3D Electron Diffraction Reveal the Polar Habit and Chiral Structure of the Malaria Pigment Crystal Hemozoin. ACS Cent. Sci., 10 (8): 1504–1514, https://doi.org/10.1021/acscentsci.4c00162.
40. Jang, K.., Bayon, G., Ahn Y., Joe, Y.J., Son, E.J., Kwon, S.J., Kim, J.H., Vogt, Chr., Forwick, M., Byun, E. &  Nam, S.-I. (2024, accepted) Geochemical and Mineralogical Characteristics of Fjord Sediments in Arctic Svalbard: Insights into Holocene Glacial Activity and Weathering Variability, Journal of Sedimentary Research. To be found on Journal of Sedimentary Research Online.
39. Park. K., Nam, S.-I., Vogt, Chr., Frederichs, T., Kim, J.-H. & Khim B.-K. (2024) Cryospheric and Oceanographic Evolution in the Arctic Makarov Basin Since the Early Pleistocene Revealed by Bulk Mineral Assemblages. Paleoceanography and Paleoclimatology, 39: e2023PA004747 (16 pages), https://doi.org/10.1029/2023PA004747.
38. Vosteen, P., Kossack, M., Vogt, Chr., Andersen, C.H., Geilert, S., Zabel, M. & Scholz, F. 2024. Iron redox shuttling and uptake by silicate minerals on the Namibian mud belt. Geochimica et Cosmochimica Acta 386:1-17, https://doi.org/10.1016/j.gca.2024.10013 .
37. Wollenburg, J.E., Matthiessen, J., Vogt, Chr., Grotheer, H., Wilhelms-Dick, D., Geibert, W. & Mollenhauer, G. (2024) Reply to: Influence of deep-reaching bioturbation on Arctic Ocean radiocarbon chronology. (Nature) Communications Earth & Environment (Matters Arising), 5: Paper 303 (3 pages), https://doi.org/10.1038/s43247-024-01462-z.

36.  Schmidt, E.M., Klar, P.B., Krysiak, Y., Svora, P., Goodwin, A.L. & Palatinus, L. (2023) Quantitative three-dimensional local order analysis of nanomaterials through electron diffraction. Nature Communications 14, 6512 (9 pages), https://doi.org/10.1038/s41467-023-41934-y.
35. Meekel, E.G., Schmidt, E.M., Cameron, L.J., Dharma, A.D., Windsor, H.J., Duyker, S.G., Minelli, A., Pope, T., Lepore, G.O., Slater, B., Kepert, C.J., Goodwin, A.L. (2023) Truchet-tile structure of a topologically aperiodic metal–organic framework. Science, 379: 357-361, https://doi.org/10.1126/science.ade5239 .
34. Schmidt, E.M., Neder, R.B., Martin, J.D., Minelli, A., Lemee, M.-H. & Goodwin, A.L. (2023) Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-Δ PDFs) of yttria-stabilized zirconia. In: Acta Crystallographica, Section B79: 138-147; https://doi.org/10.1107/S205252062300121X
33. Marx, B., Bostan, L., Herrmann, A.S., Schmidt, E.M. & Murshed, M.M., (2023) Stereocomplex formation of a poly(D-lactide)/poly(L-lactide) blend on a technical scale. International Polymer Processing, 38(3): 322-330 , https://doi.org/10.1515/ipp-2022-4296 .
32. Pokhrel, S., Stahl, J., Groeneveld, J.D., Schowalter, M., Rosenauer, A., Birkenstock, J. & Mädler, L. (2023) Flame Aerosol Synthesis of Metal Sulfides at High Temperature in Oxygen-Lean Atmosphere. Advanced Materials, 35(28): Paper 2211104 (12 pages), https://doi.org/10.1002/adma.202211104.
31. Fischer, M. (2023) Front cover. Environmental Science: Advances, 2: 1003-1004, http://dx.doi.org/1010.1039/D1003VA90028B.
30. Fischer, M. (2023) Density functional theory study of hydrophobic zeolites for the removal of triclosan from aqueous solution. Environmental Science: Advances 2: 1082-1098, http://dx.doi.org/1010.1039/D1083VA00078H.
29. Fischer, M. (2023) Adsorption of Carbamazepine in All-Silica Zeolites Studied with Density Functional Theory Calculations. ChemPhysChem, 24: e202300022 (16 pages), https://doi.org/10.1002/cphc.202300022.
28. Fischer, M. M., Fantini, R., Arletti, R., Brauer, J., Mino, L. (2023) Unraveling the Molecular Structure of Zeolite–Octyl Methoxycinnamate Hybrid UV Filters: A Combined Spectroscopic and Computational Approach. The Journal of Physical Chemistry C, 127 (50): 24242-24252. https://doi.org/1010.21/acs.jpcc.3c05854
27. Danisi, R.M.  & Fischer, M. (2023) Accessibility of Lithium Cations in VSH-2 Zeotype: Structural Effects and Formation of Protonated Water Clusters. European Journal of Inorganic Chemistry, 26 (32): e202300343 (13 pages), https://doi.org/10.1002/ejic.202300343.
26. Zibrowius, B. &  Fischer, M. (2023/Print 2024) On the Use of Solomon Echoes in 27Al NMR Studies of Complex Aluminium Hydrides. ChemistryOpen, 13(1): e202300011 (9 pages) , https://doi.org/10.1002/open.202300011 . First published: 14 June 2023.
25. Formalik, F., Fischer, M. & Kuchta, B. (2023) Correlating Phonons and Deformations: A Method for Structural Phase Transformation Analysis in Metal–Organic Frameworks, Crystal Growth & Design, 23 (12), 8962–8971, https://doi.org/10.1021/acs.cgd.3c01013
24. Malcherek, T., Fischer, M., Mihailova, B., Paulenz, B., Paulmann, C. & Bismayer, U. (Online 2023/ Print 2024) Incommensurate to normal phase transition in malayaite. American Mineralogist. 109 (8): 1419–1428, https://doi.org/10.2138/am-2023-9063
23. Ukaomah, C.F., Sun, M., Pan, Z., Ostadhassan, M., Liu, B., Meng, Q., Aminu, M.D. & Fischer, M. (2023) Experimental and molecular investigation of water adsorption controls in marine and lacustrine shale reservoirs. Journal of Hydrology, 621: Paper 129672, https://doi.org/10.1016/j.jhydrol.2023.129672.
22.  Baur W.H. & Fischer, R.X. (2023) The flexibility of the  T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study. Mineralogy and Petrology, 117: 165–179, https://doi.org/10.1007/s00710-023-00813-6.
21.  Abdelmaseh, S., Burianek, M., Birkenstock, J., Fischer, L.A., Schneider, H. & Fischer, R.X. (2023) Incorporation of Pb in (Al,Ge)-mullites in the presence of Fe, Cr, Nd, and Sm. Zeitschrift für Kristallographie - Crystalline Materials, 238 (no. 5-6): 151-166, https://doi.org/10.1515/zkri-2022-0026, published online April 1524, 2023.
20.  Chukanov, N.V., Fischer, R.X. Kazheva, O.N., & Aksenov, S.M. (2023) Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V4+O and V4+O2 vanadyl groups . Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 79 (Part 4): 8 pages, https://doi.org/10.1107/S2052520623005462. online 20 July 2023.
19.  Chukanov, N.V., Kazheva, O.N., Fischer, R.X. & Aksenov, S.M. (2023) Refinement of the crystal structure of fresnoite,  Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated TiIV and a titanyl bond. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 79 (Part 2): 184-194, https://doi.org/10.1107/S2052520622012045.
18. Giester, G., Armbruster, T., Balić-Žunić, T., Beran, A., Effenberger, H., Fischer, R.X., Friese, K., Libowitzky, E., Wildner, M. & Nasdala, L. (2023) On the occasion of the 100th anniversary of Josef Zemann`s birthday: a tribute to his scientific oeuvre. Mineralogy and Petrology 117:113-116, https://doi.org/10.1007/s00710-00023-00834-00711
17. Klar, P.B., Krysiak, Y., Xu, H., Steciuk, G., Cho, J., Zou, X. & Palatinus. L. (2023) Accurate structure models and absolute configuration determination using dynamical effects in continuous-rotation 3D electron diffraction data. Nature Chemistry, 15: 848–855, https://doi.org/10.1038/s41557-023-01186-1, Published online: 20 April 2023.
16. Khouchen, M.,  Klar, P.B., Chintakindi, H., Suresh, A. & Palatinus, L., (2023). Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data. Acta Crystallographica Section A - Foundations and Advances, A79(5): 13 pages ; https://doi.org/10.1107/S2053273323005053.
15. Wollenburg, J.E., Matthiessen, J., Vogt, Chr., Nehrke, G., Grotheer, H., Wilhelms-Dick, D., Geibert, W. & Mollenhauer, G. (2023) Omnipresent authigenic calcite distorts Arctic radiocarbon chronology. (Nature) Communications Earth & Environment, 4: Article Number 136 (15  pages), https://doi.org/10.1038/s43247-023-00802-9, Published online:
14.  Geilert, S., Frick, D.A., Garbe-Schönberg, D., Scholz, F., Sommer, S., Grasse, P., Vogt, Chr. & Dale, A.W. (2023) Coastal El Niño triggers rapid marine silicate alteration on the seafloor. Nature Communications, 14: Paper 1676 (8 pages), https://doi.org/10.1038/s41467-023-37186-5, Published online: 25 March 2023.
13.  Okuma, E., Hingst, J., Weiser, J., Madaj, L., Titschack, J., Vogt, Chr., Kienast, M., Hillaire-Marcel, C., Hebbeln, D. & Kasemann, S.A. (2023) Deglacial and Holocene sediment dynamics and provenances off Lancaster Sound: Implications for paleoenvironmental conditions in northern Baffin Bay. Quaternary Science Reviews, 309: Paper 108101 (15 pages), https://doi.org/101016/j.quascirev.2023.108101.
12. Jang, K., Bayon, G., Vogt, Chr., Forwick, M., Ahn, Y., Kim, J.-H. & Nam, S.-I. (2023) Non-linear response of glacier melting to Holocene warming in Svalbard recorded by sedimentary iron (oxyhydr)oxides. Earth and Planetary Science Letters, 607: Paper 118054 (12 pages), https://doi.org/10.1016/j.epsl.2023.118054 .
11. Safaierad, R., Matthews, R., Dupont, L., Zolitschka, B., Marinova, E., Djamali, M., Vogt, Chr., Azizi, G., Lahijani, H.A.K. & Matthews, W. (2023) Vegetation and climate dynamics at the dawn of human settlement: multiproxy palaeoenvironmental evidence from the Hashilan Wetland, western Iran. Journal of Quaternary Science, 38(8): 1289-1304; https://doi.org/10.1002/jqs.3557 .
10.  Strasser, M., Ikehara, K., Everest, J., and the Expedition 386 Scientists (incl. Vogt, Chr.) (2023) Japan Trench Paleoseismology. Proceedings of the International Ocean Discovery Program, 386: College Station, TX (International Ocean Discovery Program). Online from 30.11.2023,  https://doi.org/10.14379/iodp.proc.386.2023. See in particular Supplementary/XRD: http://publications.iodp.org/proceedings/386/SUPP_MAT/XRD/.



9. Schmidt, E. M., Thomas, S., Bulled, J.M., Minelli, A. & Goodwin, A.L. (2022) Interplay of thermal diffuse scattering and correlated compositional disorder in KCl1–xBrx. Acta Crystallographica Section B, 78(3): (7 pages), https://doi.org/10.1107/S2052520622003560.
8. Schmidt, E. M., Bulled, J. M. & Goodwin, A.L. (2022) Efficient fitting of single-crystal diffuse scattering in interaction space: a mean-field approach. IUCrJ, 9(1): 21-30.
7. Fischer, M., Bornes, C., Mafra, L. & Rocha, J., (2022) Elucidating the Germanium Distribution in ITQ-13 Zeolites by Density Functional Theory. Chemistry - A European Journal, 28(14): e202104298 (14 pages), https://doi.org/10.1002/chem.202104298.
6. Petersen, H., Stegmann, N., Fischer, M., Zibrowius, B., Radev, I., Philippi, W., Schmidt, W. & Weidenthaler, C. (2022) Crystal structures of two titanium phosphate-based proton conductors: Ab initio structure solution and materials properties. Inorganic Chemistry, 61(5): 2379–2390, https://doi.org/10.1021/acs.inorgchem.1021c02613. Publication Date:November 22, 2021
5. Ghosh, K., Murshed, M.M., Fischer, M. & Gesing, T.M. (2022) Aluminum to germanium inversion in mullite-type RAlGeO5: Characterization of a rare phenomenon for R = Y, Sm–Lu. Journal of the American Ceramic Society, 105(1): 728-741,  https://doi.org/10.1111/jace.18085. First published online: 27 August 2021.
4. Shannon, R.D., Fischer, R.X. & Van Alsenoy, C. (Online 2022/Print Aug. 2023) Empirical electronic polarizabilities for use in refractive index measurements at 589.3 nm -  IV. Hydroxyl polarizabilities,  American Mineralogist, 108 (8): 1538–1546,  https://doi.org/10.2138/am-2022-8717. First published online: Oct. 2022.
3. Swärd, H., Andersson, P., Hilton, R.,  Vogt, Chr. & O’Regan, M. (2022) Mineral and isotopic (Nd, Sr) signature of fine-grained deglacial and Holocene sediments from the Mackenzie Trough, Arctic Canada. Arctic, Antarctic, and Alpine Research, 54(1): 346-367, DOI: 10.1080/15230430.2022.2096425
2. Knies, J., Schönenberger, J., Zwingmann, H., van der Lelij, R., Smelror, M., Vullum, P.E., Brönner, M., Vogt, Chr., Fredin, O., Müller, A., Grasby, S.E., Beauchamp, B. & Viola, G. (2022) Continental weathering and recovery from ocean nutrient stress during the Early Triassic Biotic Crisis. Nature Communications Earth & Environment 3: Paper 161 (12 pages), https://doi.org/10.1038/s43247-022-00480-z

1. Fuhr, M., Geilert, S., Schmidt, M., Liebetrau, V., Vogt, Chr., Ledwig, B. & Wallmann, K. (2022) Kinetics of Olivine Weathering in Seawater: An Experimental Study. Frontiers in Climate 4: Paper 831587 (20 pages), https://doi.org/10.3389/fclim.2022.831587

Publications up to 2021 can be found here.


Updated on 01.10.2024 by Chr. Vogt, FB 05, Universität Bremen
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