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 the Department of Chemistry

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Espinoza Ramos, I., Guo, Z., Clulow, R., Su, B., Zhao, Q., Holm Gjørup, F., Ahlberg Tidblad, A. & Zhang, L. (2025). Unveiling chemomechanical degradation in aqueous batteries with online acoustic emission sensing. Materials Today Energy, 51, Article 101899. https://doi.org/10.1016/j.mtener.2025.101899

Moesgaard, J., Fujita, T. & Wei, S. (2025). Unveiling the boson peaks in amorphous phase-change materials. Journal of Physics: Condensed Matter, 37(2), Article 025101. https://doi.org/10.1088/1361-648X/ad80ef

Knattrup, Y. & Elm, J. (2025). Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles. Aerosol Research, 3(1), 125-137. https://doi.org/10.5194/ar-3-125-2025

Amdisen, M. B. & Jensen, T. R. (2025). Urea Calcium Borohydrides as Ca²⁺ Solid-State Electrolytes. Chemistry of Materials, 37(3), 1183-1194. https://doi.org/10.1021/acs.chemmater.4c03098

Carter, A. B., Braun, J., Bodenstein, T., Pfleger, R. F., Schulze, M., Kriese, T., Habermann, S. F. M., Liu, D., Al-Kahtani, A. A., Moreno-Pineda, E., Anson, C. E., Wernsdorfer, W., Chibotaru, L. F., Fink, K. & Powell, A. K. (2025). Using a Radical Straitjacket to Enforce an Ultrashort Dy–Dy Distance and Thus Enhance Dipolar Interactions in a Dy^III₂Dimer. Inorganic Chemistry, 64(51), 25036-25043. https://doi.org/10.1021/acs.inorgchem.5c04406

Saeed, K. H., Strunge, K., Mertig, R., Roeters, S. J. & Weidner, T. (2025). ViSCa: A computational toolbox for vibrational spectral calculations-Application to sum frequency generation spectroscopy of proteins. The Journal of Chemical Physics, 163(14), Article 144706. https://doi.org/10.1063/5.0296008

Green, A. E., Chen, K., Bhattacharyya, S., Allum, F., Usenko, S., Ashfold, M. N. R., Baumann, T. M., Borne, K. D., Brouard, M., Burt, M., Curchod, B. F. E., Erk, B., Forbes, R. J. G., Ibele, L. M., Ingle, R. A., Van Sa Lam, H., Li, X., Lin, K., Mazza, T. ... Rolles, D. (2025). Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging. Journal of the American Chemical Society, 147(41), 37133-37143. https://doi.org/10.1021/jacs.5c08730

Vosegaard, E. S., Svane, J. & Brummerstedt Iversen, B. (2025). X-ray electron density analysis of chemical bonding in permanent magnet Nd₂Fe₁₄B. IUCrJ, 12(6), 658-669. https://doi.org/10.1107/S2052252525007602

Vestergaard, A. K., Gammelgaard, J. J., Sun, Z., Zhao, S., Li, Z., Lock, N., Daasbjerg, K. & Lauritsen, J. V. (2025). X-ray spectroscopy characterization of cobalt stabilization within a monolayer carbon nitride in the oxygen evolution reaction. Physical Chemistry Chemical Physics, 27(10), 5326-5337. https://doi.org/10.1039/d4cp04148h

Hall, C. A., Grinter, D. C., Sandemann, J., Iversen, B. B., Bennett, R. A., Held, G., Grau-Crespo, R. & Ferrer, P. (2025). Zinc depletion at the ZnFe₂O₄ (1 1 1) single crystal surface: X-ray spectroscopy experiments and computer simulations. Applied Surface Science, 713, Article 164253. https://doi.org/10.1016/j.apsusc.2025.164253

Nisticò, R., Idriss, H., Carlos, L., Aneggi, E. & Jensen, T. R. (2024). 10th Anniversary of Inorganics: Inorganic Materials. Inorganics, 12(3), Article 62. https://doi.org/10.3390/inorganics12030062

Christensen, T. E. K., Østergaard, M., Gutowski, O., Dippel, A. C. & Birkedal, H. (2024). 3D distribution of biomineral and chitin matrix in the stomatopod dactyl club by high energy XRD-CT. Journal of Structural Biology, 216(4), Article 108136. https://doi.org/10.1016/j.jsb.2024.108136

Castanheira, E. J., Maia, J. R., Monteiro, L. P. G., Sobreiro-Almeida, R., Wittig, N. K., Birkedal, H., Rodrigues, J. M. M. & Mano, J. F. (2024). 3D-printed injectable nanocomposite cryogel scaffolds for bone tissue regeneration. Materials Today Nano, 28, Article 100519. https://doi.org/10.1016/j.mtnano.2024.100519

Højlund, M. G. & Christiansen, O. (2024). A bivariational, stable, and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets. The Journal of Chemical Physics, 160(17), Article 174119. https://doi.org/10.1063/5.0203914

Kubečka, J., Ayoubi, D., Tang, Z., Knattrup, Y., Engsvang, M., Wu, H. & Elm, J. (2024). Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks. Environmental Science: Advances, 3(10), 1438-1451. https://doi.org/10.1039/d4va00255e

Pedersen, A. N., Knattrup, Y. & Elm, J. (2024). A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation. Aerosol Research, 2(1), 123-134. https://doi.org/10.5194/ar-2-123-2024

Bertelsen, M. B., Tsang, E., Palmfeldt, J., Kristoffersen, C. H., Nisavic, M. & Gothelf, K. V. (2024). A Diketopinic Reagent for the Reversible Bioconjugation to Arginine Residues on Native Antibodies. Bioconjugate Chemistry, 35(11), 1755-1761. https://doi.org/10.1021/acs.bioconjchem.4c00317

Zhou, J., Zhang, J., Iversen, B. B. & Shi, X. (2024). Advanced thermoelectrics, What’s Next? Next Energy, 4, Article 100147. https://doi.org/10.1016/j.nxener.2024.100147

Krissanaprasit, A., Mihalko, E., Meinhold, K., Simpson, A., Sollinger, J., Pandit, S., Dupont, D. M., Kjems, J., Brown, A. C. & LaBean, T. H. (2024). A functional RNA-origami as direct thrombin inhibitor with fast-acting and specific single-molecule reversal agents in vivo model. Molecular Therapy, 32(7), 2286-2298. https://doi.org/10.1016/j.ymthe.2024.05.002

Larsen, E. M. H., Brock-Nannestad, T., Skibsted, J., Reinholdt, A. & Bendix, J. (2024). A homoleptic Ag^III complex stabilized by succinimidate ligands. Chemical Science, 15(43), 18067-18075. https://doi.org/10.1039/d4sc04843a

Laursen, A. P., Frandsen, J. P., Shyam, P., Mørch, M. I., Gjørup, F. H., Vijayan, H., Jørgensen, M. R. V. & Christensen, M. (2024). Aligned Permanent Magnet Made in Seconds: An In Situ Diffraction Study. Advanced Electronic Materials, 10(9), Article 2400077. https://doi.org/10.1002/aelm.202400077

Nie, S. & Skibsted, J. (2024). Aluminum distribution in C-(A)-S-H and calcium aluminate hydrate phases of Portland cement – metakaolin – limestone blends studied by ²⁷Al and ²⁹Si NMR spectroscopy. Cement and Concrete Research, 186, Article 107664. https://doi.org/10.1016/j.cemconres.2024.107664

Mikkelsen, J. E. S. & Jensen, F. (2024). Ambiguities in Decomposing Molecular Polarizability into Atomic Charge Flow and Induced Dipole Contributions. Journal of Physical Chemistry A, 128(20), 4168–4175. https://doi.org/10.1021/acs.jpca.4c01890

Birkedal, H., Sztucki, M., Stammer, M., Sadetskaia, A., Burghammer, M. C. & Grünewald, T. A. (2024). A micro-beamstop with transmission detection by fluorescence for scanning-beam synchrotron scattering beamlines. Journal of Applied Crystallography, 57(Pt 6), 2043-2047. https://doi.org/10.1107/S1600576724009129

Mamakhel, A., Kløve, M., Bondesgaard, M., Christiansen, T. L., Pedersen, S. U., Skibsted, J. & Iversen, B. B. (2024). Amphoteric SnO₂ nanoparticles via pH-controlled continuous flow solvothermal synthesis. Journal of Supercritical Fluids, 212, Article 106341. https://doi.org/10.1016/j.supflu.2024.106341

Dinesen, A., Andersen, V. L., Elkhashab, M., Pilati, D., Bech, P., Fuchs, E., Samuelsen, T. R., Winther, A., Cai, Y., Märcher, A., Wall, A., Omer, M., Nielsen, J. S., Chudasama, V., Baker, J. R., Gothelf, K. V., Wengel, J., Kjems, J. & Howard, K. A. (2024). An Albumin-Holliday Junction Biomolecular Modular Design for Programmable Multifunctionality and Prolonged Circulation. Bioconjugate Chemistry, 35(2), 214-222. https://doi.org/10.1021/acs.bioconjchem.3c00491

Faghtmann, J., Eugui, M., Nygaard Lamhauge, J., Sofie Pladsbjerg Andresen, S., Rask Østergaard, A., Bjerregaard Svenningsen, E., B. Poulsen, T. & Anker Jørgensen, K. (2024). An Enantioselective Aminocatalytic Cascade Reaction Affording Bioactive Hexahydroazulene Scaffolds. Chemistry - A European Journal, 30(32), Article e202401156. https://doi.org/10.1002/chem.202401156

Alcaina-Hernando, M., Malvacio, I., Ferraboschi, I., Huck-Iriart, C., Bianchera, A., Sala, S., Pedersen, J. S., Ferrer-Tasies, L., Pescina, S., Sissa, C., Ventosa, N. & Córdoba, A. (2024). A new plant-based drug delivery platform based on alkyl polyglucosides and β-sitosterol nanovesicles for topical delivery. Applied Materials Today, 41, Article 102467. https://doi.org/10.1016/j.apmt.2024.102467

Nielsen, R. V., Salimi, M., Andersen, J. E. V., Elm, J., Dantan, A. & Pedersen, H. B. (2024). A new setup for measurements of absolute saturation vapor pressures using a dynamical method: Experimental concept and validation. Review of Scientific Instruments, 95(6), Article 065007. https://doi.org/10.1063/5.0215176

Westberg, M., Su, Y., Zou, X., Huang, P., Rustagi, A., Garhyan, J., Patel, P. B., Fernandez, D., Wu, Y., Hao, C., Lo, C. W., Karim, M., Ning, L., Beck, A., Saenkham-Huntsinger, P., Tat, V., Drelich, A., Peng, B. H., Einav, S. ... Lin, M. Z. (2024). An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Science Translational Medicine, 16(738), Article eadi0979. https://doi.org/10.1126/scitranslmed.adi0979

Vitasovic, T., Caniglia, G., Eghtesadi, N., Ceccato, M., Bo̷jesen, E. D., Gosewinkel, U., Neusser, G., Rupp, U., Walther, P., Kranz, C. & Ferapontova, E. E. (2024). Antibacterial Action of Zn²⁺ Ions Driven by the In Vivo Formed ZnO Nanoparticles. ACS Applied Materials and Interfaces, 16(24), 30847-30859. https://doi.org/10.1021/acsami.4c04682

Mariz Maia Neto, F., Snellings, R. & Skibsted, J. (2024). Aqueous carbonation of aged blended Portland cement pastes: Impact of the Al/Si ratio on the structure of the alumina-silica gel. Cement and Concrete Research, 177, Article 107428. https://doi.org/10.1016/j.cemconres.2024.107428

Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Aqueous pyruvate partly dissociates under deep ultraviolet irradiation but is resilient to near ultraviolet excitation. Nature Communications, 15(1), Article 1978. https://doi.org/10.1038/s41467-024-46309-5, https://doi.org/10.1038/s41467-024-46309-5

Søgaard, A. B., Skovbo, F., Tvilum, A., Hansson, R. F. & Zelikin, A. N. (2024). Artificial Internalizing Receptor Affords Fast, Potent, Specific Drug Delivery to the Chemically Engineered Cells. Advanced Functional Materials, 34(33), Article 2400048. https://doi.org/10.1002/adfm.202400048

Søgaard, A. B., Hansson, R. F., Tvilum, A. S. & Zelikin, A. N. (2024). Artificial Internalizing Receptors: Intracellular Delivery of Cargo Through Bio-Orthogonal Recognition. Advanced Healthcare Materials, 13(32), Article 2402472. https://doi.org/10.1002/adhm.202402472

Baghaee Ivriq, S., Laursen, K., Møller Jørgensen, A., Mondal, T., Zamani, M., Rezaeiyan, Y., Corbett, B., Iversen, B. B. & Moradi, F. (2024). A System-Level Feasibility Study of a Lead-Free Ultrasonically Powered Light Delivery Implant for Optogenetics. Advanced Intelligent Systems , 6(3), Article 2300527. https://doi.org/10.1002/aisy.202300527

Santos, J., Cuellar, J., Pallarès, I., Byrd, E. J., Lends, A., Moro, F., Abdul-Shukkoor, M. B., Pujols, J., Velasco-Carneros, L., Sobott, F., Otzen, D. E., Calabrese, A. N., Muga, A., Pedersen, J. S., Loquet, A., Valpuesta, J. M., Radford, S. E. & Ventura, S. (2024). A Targetable N-Terminal Motif Orchestrates α-Synuclein Oligomer-to-Fibril Conversion. Journal of the American Chemical Society, 146(18), 12702-12711. https://doi.org/10.1021/jacs.4c02262

López-Sánchez, U., Munro, L. J., Ladefoged, L. K., Pedersen, A. J., Brun, C. C., Lyngby, S. M., Baud, D., Juillan-Binard, C., Pedersen, M. G., Lummis, S. C. R., Bang-Andersen, B., Schiøtt, B., Chipot, C., Schoehn, G., Neyton, J., Dehez, F., Nury, H. & Kristensen, A. S. (2024). Author Correction: Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT3 receptors (Nature Structural & Molecular Biology, (2024), 10.1038/s41594-024-01282-x). Nature Structural and Molecular Biology, 31(7), 1145. https://doi.org/10.1038/s41594-024-01346-y

Jørgensen, P., Olsen, J., Johansen, M. B., von Buchwald, T. J., Hillers-Bendtsen, A. E., Mikkelsen, K. V. & Helgaker, T. (2024). A variational reformulation of molecular properties in electronic-structure theory. Science Advances, 10(17), Article eadn3454. https://doi.org/10.1126/sciadv.adn3454

Jensen, F. (2024). Basis Set Superposition Errors Are Partly Basis Set Imbalances. Journal of Chemical Theory and Computation, 20(2), 767-774. https://doi.org/10.1021/acs.jctc.3c01156

Sieborg, M. U., Nielsen, A. K. H., Ottosen, L. D. M., Daasbjerg, K. & Kofoed, M. V. W. (2024). Bio-integrated carbon capture and utilization: at the interface between capture chemistry and archaeal CO₂ reduction. Nature Communications, 15(1), Article 7492. https://doi.org/10.1038/s41467-024-51700-3

Rodriguez-Palomo, A., Østergaard, M. & Birkedal, H. (2024). Bone Hierarchical Structure: Heterogeneity and Uniformity. Advanced Functional Materials, 34(35), Article 2307026. https://doi.org/10.1002/adfm.202307026

Kjærgaard, E. R., Hasager, F., Petters, S. S., Glasius, M. & Bilde, M. (2024). Bubble-mediated generation of airborne nanoplastic particles. Environmental Science: Processes and Impacts, 26(7), 1216-1226. https://doi.org/10.1039/d4em00124a

Hundebøl, B. N. R. G., Rohde, P. D., Kristensen, T. N., Jensen, R. W. M., Vosegaard, T. & Sørensen, J. G. (2024). Bugs on Drugs: Paracetamol Exposure Reveals Genotype-Specific Generational Effects on Life History Traits in Drosophila melanogaster. Insects, 15(10), Article 763. https://doi.org/10.3390/insects15100763

Ozturk, T. N., König, M., Carpenter, T. S., Pedersen, K. B., Wassenaar, T. A., Ingólfsson, H. I. & Marrink, S. J. (2024). Building complex membranes with Martini 3. In M. Deserno & T. Baumgart (Eds.), Biophysical Approaches for the Study of Membrane Structure: Part B: Theory and Simulations (Vol. 701, pp. 237-285). Academic Press. https://doi.org/10.1016/bs.mie.2024.03.010

Digel, L., Mierzwa, M., Bonné, R., Zieger, S. E., Pavel, I. A., Ferapontova, E., Koren, K., Boesen, T., Harnisch, F., Marshall, I. P. G., Nielsen, L. P. & Kuhn, A. (2024). Cable Bacteria Skeletons as Catalytically Active Electrodes. Angewandte Chemie - International Edition, 63(6), Article e202312647. https://doi.org/10.1002/anie.202312647

Wu, L., Yu, F., Luo, H., Zhu, M., Liao, S., Liu, J., Wu, C., Horchler, E. J., Ristovski, Z. & Zheng, J. (2024). Characterization of ammonia emissions from light-duty gasoline vehicles based on real-world driving and dynamometer measurements. Science of the Total Environment, 929, Article 172644. https://doi.org/10.1016/j.scitotenv.2024.172644

Bech, T. B., Donslund, B. S., Kristensen, S. K. & Skrydstrup, T. (2024). Chemical separation of polyurethane via acidolysis - combining acidolysis with hydrolysis for valorisation of aromatic amines. Green Chemistry, 26(14), 8395-8404. https://doi.org/10.1039/d4gc00819g

Andersen, D. G., Pedersen, A. B., Jørgensen, M. H., Montasell, M. C., Søgaard, A. B., Chen, G., Schroeder, A., Andersen, G. R. & Zelikin, A. N. (2024). Chemical Zymogens and Transmembrane Activation of Transcription in Synthetic Cells. Advanced Materials, 36(6), Article 2309385. https://doi.org/10.1002/adma.202309385

Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J. (2024). Chlorine Oxyacids Potentially Contribute to Arctic Aerosol Formation. Environmental Science & Technology Letters, 11(2), 101-105. https://doi.org/10.1021/acs.estlett.3c00902

Displaying results 351 to 400 out of 5937

Revised 08.05.2026

Department of Chemistry