Publications

The Department of Chemistry is one of the most productive departments at Aarhus University. A considerable number of articles are published every year.

Publications from Department of Chemistry

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Ahrens, A., Batista, G. M. F., Hammershøj, H. C. D., Schwibinger, E. V., Nova, A. & Skrydstrup, T. (2024). Unveiling the mechanism of triphos-Ru catalysed C–O bond disconnections in polymers. Nature Communications, 15, Article 5656. https://doi.org/10.1038/s41467-024-50083-9

Lytje, K. & Pedersen, J. S. (2024). Validation of electron-microscopy maps using solution small-angle X-ray scattering. Acta crystallographica Section D: Structural biology, 80(Pt 7), 493-505. https://doi.org/10.1107/S2059798324005497

Majland, M., Ettenhuber, P., Zinner, N. T. & Christiansen, O. (2024). Vibrational ADAPT-VQE: Critical points lead to problematic convergence. The Journal of Chemical Physics, 160(15), Article 154109. https://doi.org/10.1063/5.0191074

Johny, M., Schouder, C. A., Al-Refaie, A., He, L., Wiese, J., Stapelfeldt, H., Trippel, S. & Küpper, J. (2024). Water is a radiation protection agent for ionised pyrrole. Physical Chemistry Chemical Physics, 26(17), 13118-13130. https://doi.org/10.1039/d3cp03471b

Sørensen, S. S., Christensen, A. K. R., Bouros-Bandrabur, E. A., Andersen, E. S., Christiansen, H. F., Lang, S., Cao, F., Jalaludeen, M. F. U., Christensen, J. F. S., Winters, W. M. W., Andersen, B. P., Nielsen, A. B., Nielsen, N. C., Bomholdt Ravnsbæk, D., Kristensen, P. K., Yue, Y. & Smedskjær, M. M. (2024). Water Promotes Melting of a Metal-Organic Framework. Chemistry of Materials, 36(6), 2756-2766. https://doi.org/10.1021/acs.chemmater.3c02873

Nielsen, L. S., Šantl-Temkiv, T., Palomeque Sánchez, M., Massling, A., Ward, J. C., Jensen, P. B., Boesen, T., Petters, M., Finster, K., Bilde, M. & Rosati, B. (2024). Water Uptake of Airborne Cells of P. syringae Measured with a Hygroscopicity Tandem Differential Mobility Analyzer. Environmental Science & Technology, 58(43), 19211-19221. https://doi.org/10.1021/acs.est.4c01817

Grønbech, T. B. E., Kasai, H., Zhang, J., Nishibori, E. & Iversen, B. B. (2024). Weak Bonding and Anharmonicity in Thermoelectric ZnSb. Advanced Functional Materials, 34(33), Article 2401703. https://doi.org/10.1002/adfm.202401703

Linnemann, C. J., Ehrenreich-Petersen, E., Ceresoli, D., Fedotenko, T., Kantor, I., Jørgensen, M. R. V. & Bremholm, M. (2024). Weyl semimetallic phase in high pressure CrSb₂ and structural compression studies of its high pressure polymorphs. Journal of Alloys and Compounds, 1003, Article 175457. https://doi.org/10.1016/j.jallcom.2024.175457

Lin, J., Bjørk, P. K., Kolte, M. V., Poulsen, E., Dedic, E., Drace, T., Andersen, S. U., Nadzieja, M., Liu, H., Castillo-Michel, H., Escudero, V., González-Guerrero, M., Boesen, T., Pedersen, J. S., Stougaard, J., Andersen, K. R. & Reid, D. (2024). Zinc mediates control of nitrogen fixation via transcription factor filamentation. Nature, 631(8019), 164-169. https://doi.org/10.1038/s41586-024-07607-6

Bhatia, H., Kashavarz, M., Martin, C., Gaal, L. V., Zhang, Y., de Coen, B., Schrenker, N. J., Valli, D., Ottesen, M., Bremholm, M., Van de Vondel, J., Bals, S., Hofkens, J. & Debroye, E. (2023). Achieving High Moisture Tolerance in Pseudohalide Perovskite Nanocrystals for Light-Emitting Diode Application. ACS Applied Optical Materials, 1(6), 1184-1191. https://doi.org/10.1021/acsaom.3c00096

Viegas, L. P. & Jensen, F. (2023). A computer-based solution to the oxidation kinetics of fluorinated and oxygenated volatile organic compounds. Environmental Science: Atmospheres, 3(5), 855-871 . https://doi.org/10.1039/d2ea00164k

Zhao, R., Wittig, N. K., De Angelis, G., Yuan, T., Hirsch, M., Birkedal, H. & Amstad, E. (2023). Additive Manufacturing of Porous Biominerals. Advanced Functional Materials, 33(37), Article 2300950. https://doi.org/10.1002/adfm.202300950

Marchioro, A., Golbek, T. W., Chatterley, A. S., Weidner, T. & Roke, S. (2023). A discrepancy of 10⁷ in experimental and theoretical density detection limits of aerosol particles by surface nonlinear light scattering. Communications Chemistry, 6(1), Article 114. https://doi.org/10.1038/s42004-023-00903-8

Martins Ferreira Batista, G. & Possa de Castro, P. (2023). Advances in the Transition Metal Catalyzed Carboxylation of Aryl Electrophiles: a Field Full of Opportunities for the Brazilian Chemical Society. Revista Virtual de Química , 15(2), 334-351. https://doi.org/10.21577/1984-6835.20230007

Tesson, S. V. M., Barbato, M. & Rosati, B. (2023). Aerosolization flux, bio-products, and dispersal capacities in the freshwater microalga Limnomonas gaiensis (Chlorophyceae). Communications Biology, 6(1), Article 809. https://doi.org/10.1038/s42003-023-05183-5

Laursen, K. R., Christensen, N. V., Mulder, F. A., Schullehner, J., Hoffmann, H. J., Jensen, A., Møller, P., Loft, S., Olin, A.-C., Rasmussen, B. B., Rosati, B., Strandberg, B., Glasius, M., Bilde, M., Sigsgaard, T. & Climate Chamber Group (2023). Airway and systemic biomarkers of health effects after short-term exposure to indoor ultrafine particles from cooking and candles: A randomized controlled double-blind crossover study among mild asthmatic subjects. Particle and Fibre Toxicology, 20(1), Article 26. https://doi.org/10.1186/s12989-023-00537-7

Rasmussen, M. H., Jaye, C., Fischer, D. & Weidner, T. (2023). A library of calcium mineral reference spectra recorded by parallel imaging using NEXAFS spectromicroscopy. Journal of Electron Spectroscopy and Related Phenomena, 266, Article 147361. https://doi.org/10.1016/j.elspec.2023.147361

Pandit, B., Johansen, M., Andersen, B. P., Martínez-Cisneros, C. S., Levenfeld, B., Ravnsbæk, D. B. & Varez, A. (2023). All-solid-state sodium-ion batteries operating at room temperature based on NASICON-type NaTi₂(PO₄)₃ cathode and ceramic NASICON solid electrolyte: A complete in situ synchrotron X-ray study. Chemical Engineering Journal, 472, Article 144509. https://doi.org/10.1016/j.cej.2023.144509

Kløve, M., Sommer, S., Iversen, B. B., Hammer, B. & Dononelli, W. (2023). A Machine-Learning-Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory. Advanced Materials, 35(13), Article 2208220. https://doi.org/10.1002/adma.202208220

Han, X., Zhang, T., Biset-Peiró, M., Zhao, S., Murcia Lopez, S., Daasbjerg, K., Morante, J. R., Li, J. & Arbiol, J. (2023). A MOF-Based Spatial-Separation Layer to Enable a Uniform Favorable Microenvironment for Electrochemical CO₂ Reduction. Small Structures, 4(8), Article 2200388. https://doi.org/10.1002/sstr.202200388

Gammelgaard, J. J., Sun, Z., Vestergaard, A. K., Zhao, S., Li, Z., Lock, N., Daasbjerg, K., Bagger, A., Rossmeisl, J. & Lauritsen, J. V. (2023). A Monolayer Carbon Nitride on Au(111) with a High Density of Single Co Sites. ACS Nano, 17(17), 17489-17498. https://doi.org/10.1021/acsnano.3c05996

Mahant, S., Yadav, S., Gilbert, C., Kjærgaard, E. R., Jensen, M. M., Kessler, T., Bilde, M. & Petters, M. D. (2023). An open-hardware community ice nucleation cold stage for research and teaching. HardwareX, 16, Article e00491. https://doi.org/10.1016/j.ohx.2023.e00491

Fu, Z., Ma, F., Liu, Y., Yan, C., Huang, D., Chen, J., Elm, J., Li, Y., Ding, A., Pichelstorfer, L., Xie, H. B., Nie, W., Francisco, J. S. & Zhou, P. (2023). An overlooked oxidation mechanism of toluene: computational predictions and experimental validations. Chemical Science, 14(45), 13050-13059. https://doi.org/10.1039/d3sc03638c

Tvilum, A. S., Johansen, M. I., Glud, L. N., Ivarsen, D. M., Khamas, A. B., Carmali, S., Mhatre, S. S., Søgaard, A. B., Faddy, E., de Vor, L., H. M. Rooijakkers, S., Østergaard, L. J., Jørgensen, N. P., Meyer, R. L. & Zelikin, A. (2023). Antibody-Drug Conjugates to Treat Bacterial Biofilms via Targeting and Extracellular Drug Release. Advanced Science, 10(23), Article 2301340. https://doi.org/10.1002/advs.202301340

Lu, R., Xie, Z., Christensen, C. S. Q., Luo, S., Nazari, P., Yousefi, O., Wang, Y. & Wei, Z. (2023). A photo-regenerable sponge filter to continuously remove hydrophobic and hydrophilic pollutants for water reuse. Chemical Engineering Journal, 476(146695), Article 146695. https://doi.org/10.1016/j.cej.2023.146695

Jensen, S. K., Bregnhøj, M., Thøgersen, J., Nørnberg, P., Nielsen, A. B., Skibsted, J. & Finster, K. (2023). A putative mechanism for capture of carbon dioxide by quartz, mediated by triboelectric charging. Chemical Physics Letters, 816, Article 140395. https://doi.org/10.1016/j.cplett.2023.140395

Roelsgaard, M., Kløve, M., Christensen, R., Bertelsen, A. D., Broge, N. L. N., Kantor, I., Sørensen, D. R., Dippel, A.-C., Banerjee, S., Zimmermann, M. V., Glaevecke, P., Gutowski, O., Jørgensen, M. R. V. & Iversen, B. B. (2023). A reactor for time-resolved X-ray studies of nucleation and growth during solvothermal synthesis. Journal of Applied Crystallography, 56(3), 581-588. https://doi.org/10.1107/S1600576723002339

Kaasik, M., Chen, P.-P., Ricko, S., Jørgensen, K. A. & Houk, K. N. (2023). Asymmetric [4 + 2], [6 + 2], and [6 + 4] Cycloadditions of Isomeric Formyl Cycloheptatrienes Catalyzed by a Chiral Diamine Catalyst. Journal of the American Chemical Society, 145(43), 23874-23890. https://doi.org/10.1021/jacs.3c09551

Barløse, C. L., Faghtmann, J., Bitsch, R. S., Gbubele, J. D. & Jørgensen, K. A. (2023). Asymmetric Organocatalyzed Cascade Reactions─Merging the pseudo-Halogen and Halogen Effect with Dienamine Catalysis. Organic Letters, 25(7), 1209-1213. https://doi.org/10.1021/acs.orglett.3c00220

Kubečka, J., Neefjes, I., Besel, V., Qiao, F., Xie, H.-B. & Elm, J. (2023). Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning. The journal of physical chemistry. A, 127(9), 2091-2103. https://doi.org/10.1021/acs.jpca.3c00068

Linde, S. T., Corti, V., Lauridsen, V. H., Lamhauge, J. N., Jørgensen, K. A. & Rezayee, N. M. (2023). Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis. Chemical Science, 14(13), 3676-3681. https://doi.org/10.1039/d2sc06131g

Frandsen, M., El-Chami, K., Palmfeldt, J., Smidt, J. M., Langballe, M. E. T., Sandahl, A. & Gothelf, K. V. (2023). Automated Solid-Phase Oligo(disulfide) Synthesis. Angewandte Chemie International Edition, 62(23), Article e202303170. https://doi.org/10.1002/anie.202303170

Jensen, F. (2023). Basis Set Extrapolation of Vibrational Frequencies. The Journal of Physical Chemistry A, 127(12), 2859–2863. https://doi.org/10.1021/acs.jpca.3c00064

Guo, J., Che, Y., Pedersen, K. & Stroe, D. I. (2023). Battery impedance spectrum prediction from partial charging voltage curve by machine learning. Journal of Energy Chemistry, 79, 211-221. https://doi.org/10.1016/j.jechem.2023.01.004

Christensen, C. K., Karlsen, M. A., Drejer, A. Ø., Andersen, B. P., Jakobsen, C. L., Johansen, M., Sørensen, D. R., Kantor, I., Jørgensen, M. R. V. & Ravnsbæk, D. B. (2023). Beam damage in operando X-ray diffraction studies of Li-ion batteries. Journal of Synchrotron Radiation, 30(Part 3), 561-570. https://doi.org/10.1107/S160057752300142X

Sandemann, J. R., Støckler, K. A. H., Wang, X., Chakoumakos, B. C. & Iversen, B. B. (2023). Benchmark Crystal Structure of Defect-Free Spinel ZnFe₂O₄. Journal of the American Chemical Society, 145(38), 21053-21065. https://doi.org/10.1021/jacs.3c07334

Ferapontova, E. E. & Kraatz, H. B. (2023). Bioelectrochemistry: Post-pandemic biosensor research for biomedical applications. Current Opinion in Electrochemistry, 42, Article 101390. https://doi.org/10.1016/j.coelec.2023.101390

Chua, J. Q. I., Christensen, T. E. K., Palle, J., Wittig, N. K., Grünewald, T. A., Garrevoet, J., Spiers, K. M., Castillo-Michel, H., Schramm, A., Chien, W. L., Sobota, R. M., Birkedal, H. & Miserez, A. (2023). Biomineralization of mantis shrimp dactyl club following molting: Apatite formation and brominated organic components. Acta Biomaterialia, 170, 479-495. https://doi.org/10.1016/j.actbio.2023.08.054

Grünewald, T. A., Johannes, A., Wittig, N. K., Palle, J., Rack, A., Burghammer, M. & Birkedal, H. (2023). Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system. IUCrJ, 10(2), 189-198. https://doi.org/10.1107/S2052252523000866

Bregnhøj, M., Jensen, S. J. K., Strunge, K., Nielsen, A. B., Thøgersen, J., Nørnberg, P., Skibsted, J. & Finster, K. (2023). Carbon Dioxide Sequestration by Triboelectric Charging of Tumbling Quartz Sand. Journal of Physical Chemistry C, 127(25), 12008-12015. https://doi.org/10.1021/acs.jpcc.3c02008

Ahrens, A., Bonde, A., Sun, H., Wittig, N. K., Hammershøj, H. C. D., Batista, G. M. F., Sommerfeldt, A., Frølich, S., Birkedal, H. & Skrydstrup, T. (2023). Catalytic disconnection of C-O bonds in epoxy resins and composites. Nature, 617(7962), 730-737. https://doi.org/10.1038/s41586-023-05944-6

Chikina, A., Lund, H., Bianchi, M., Curcio, D., Dalgaard, K. J., Bremholm, M., Lei, S., Singha, R., Schoop, L. M. & Hofmann, P. (2023). Charge density wave generated Fermi surfaces in NdTe3. Physical Review B, 107(16), Article L161103. https://doi.org/10.1103/PhysRevB.107.L161103

Viennet, T., Rodriguez Ospina, S., Lu, Y., Cui, A., Arthanari, H. & Dempsey, D. R. (2023). Chemical and structural approaches to investigate PTEN function and regulation. In A. K. Shukla (Ed.), Integrated Methods in Protein Biochemistry: Part C (Vol. 682, pp. 289-318). ELSEVIER ACADEMIC PRESS INC. https://doi.org/10.1016/bs.mie.2022.09.007

Sarkar, S., Vosegaard, E. S. & Iversen, B. B. (2023). Chemical Bonding Origin of Mechanically Induced Glass Formation in a Coordination Polymer. Chemistry of Materials, 35(20), 8629–8635. https://doi.org/10.1021/acs.chemmater.3c01724

Casanovas Montasell, M., Baumann, A. & Zelikin, A. N. (2023). Chemical Zymogens: Specificity and Steroidal Control of Reactivation. ChemBioChem, 24(15), Article e202300304. https://doi.org/10.1002/cbic.202300304

Ricci, F. & Gothelf, K. (2023). Chemistry of DNA Nanotechnology Special Issue. Bioconjugate Chemistry, 34(1), 3-5. https://doi.org/10.1021/acs.bioconjchem.2c00604

Ma, R., Golbek, T. W., Shi, Y., Weidner, T. & Sutherland, D. (2023). Chiral Sum Frequency Generation by Chiral Gold Nanoparticles Amplifies Weak Sum Frequency Signals and Enables Monitoring of Enantioselective Reactions. ACS Applied Nano Materials, 6(18), 16161-16167. https://doi.org/10.1021/acsanm.3c01774

Johansen, M. B., Donslund, B. S., Larsen, E., Olsen, M. B., Pedersen, J. A. L., Boye, M., Smedsgård, J. K. C., Heck, R., Kristensen, S. K. & Skrydstrup, T. (2023). Closed-Loop Recycling of Polyols from Thermoset Polyurethanes by tert-Amyl Alcohol-Mediated Depolymerization of Flexible Foams. ACS Sustainable Chemistry and Engineering, 11(29), 10737–10745. https://doi.org/10.1021/acssuschemeng.3c01469

Knattrup, Y., Kubečka, J., Ayoubi, D. & Elm, J. (2023). Clusterome: A Comprehensive Data Set of Atmospheric Molecular Clusters for Machine Learning Applications. ACS Omega, 8(28), 25155-25164. https://doi.org/10.1021/acsomega.3c02203

Ayoubi, D., Knattrup, Y. & Elm, J. (2023). Clusteromics V: Organic Enhanced Atmospheric Cluster Formation. ACS Omega, 8(10), 9621-9629. https://doi.org/10.1021/acsomega.3c00251

Displaying results 501 to 550 out of 5242

Revised 24.09.2025

Department of Chemistry