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Department of Chemistry

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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Afrough, A., Pérez-Mendigorri, M. & Vosegaard, T. (2025). Automated Data Processing Workflows for Non-Expert Users of NMR Facilities. Magnetic Resonance in Chemistry, 63(8), 604-612. https://doi.org/10.1002/mrc.5540

De Lauretis, A., Eriksson Agger, A., Pal, A., Skov Pedersen, J., Szostak, S. M., Lund, R., Lyngstadaas, S. P., Ellingsen, J. E., Linke, D. & Haugen, H. J. (2025). Balancing sterilization and functional properties in Poloxamer 407 hydrogels: comparing heat and radiation techniques. Regenerative biomaterials, 12, Article rbaf005. https://doi.org/10.1093/rb/rbaf005

Hasan, G., Wu, H., Knattrup, Y. & Elm, J. (2025). Base synergy in freshly nucleated particles. Aerosol Research, 3(1), 101-111. https://doi.org/10.5194/ar-3-101-2025

Juul, K. O. R., Støckler, K. A. H. & Iversen, B. B. (2025). Benchmarking 3D-ΔPDF analysis using in-house X-ray sources. Acta Crystallographica Section A: Foundations and Advances, 81(Pt 4), 254-268. https://doi.org/10.1107/S2053273325003389

Kolding, K. N., Torbensen, K. & Rosas-Hernández, A. (2025). Beyond scaling relations in electrocatalysis: unifying concepts from molecular systems and metallic surfaces. Chemical Science, (15). https://doi.org/10.1039/d4sc07864k, https://doi.org/10.1039/d4sc07864k

Ali, S. D., Rasmussen, M. H., Catalano, J., Frederiksen, C. H. & Weidner, T. (2025). Bioinspired nanofilament coatings for scale reduction on steel. Beilstein Journal of Nanotechnology, 16, 25-34. https://doi.org/10.3762/BJNANO.16.3

Rodriguez-Palomo, A., Vibe, P. A. S., Vogel Jørgensen, M. R. & Birkedal, H. (2025). Biomineral displays systematic spatially varying crystallographic properties in fibrolamellar bone as revealed by position resolved X-ray diffraction. Faraday Discussions, 261, 116-131. https://doi.org/10.1039/d5fd00030k

Carvalho, J. P., Nielsen, A. B., Baligács, E., Wili, N. & Nielsen, N. C. (2025). Bridging Dynamic Nuclear Polarization and Solid-State NMR Dipolar Recoupling: From Static Single Crystal to Spinning Powders. The Journal of Physical Chemistry Letters, 16(17), 4363-4371. https://doi.org/10.1021/acs.jpclett.5c00617

Zarean Mousaabadi, K., Ceccato, M., Joypazadeh, H., Nielsen, L. P., Marshall, I. P. G. & Daasbjerg, K. (2025). Cable Bacteria-Inspired Hemin-Nickel Coordination Polymers with Carbon Nanotubes for Enhanced Oxygen Evolution. Electrochimica Acta, 542, Article 147484. https://doi.org/10.1016/j.electacta.2025.147484

Mikkelsen, J. E. S. & Jensen, F. (2025). Calculating Bond Capacities by Linear Response Methods. Journal of Chemical Theory and Computation, 21(9), 4553-4561. https://doi.org/10.1021/acs.jctc.5c00233

Ettenhuber, P., Hansen, M. B., Poier, P. P., Shaik, I., Rasmussen, S. E., Madsen, N. K., Majland, M., Jensen, F., Olsen, L. & Zinner, N. T. (2025). Calculating the Energy Profile of an Enzymatic Reaction on a Quantum Computer. Journal of Chemical Theory and Computation, 21(7), 3493-3503. https://doi.org/10.1021/acs.jctc.5c00022

Maia Neto, F. & Skibsted, J. (2025). Characterization of aqueous carbonated cement-based materials by multinuclear solid-state NMR spectroscopy. Journal of Sustainable Cement-Based Materials, 14(6), 1191-1206. https://doi.org/10.1080/21650373.2025.2495142

Bjerre-Christensen, N., Eriksen, C. B., Sylvester-Hvid, K. O. & Ravnsbæk, D. B. (2025). Characterization of Industrial Black Mass from End-of-Life LiFePO₄-Graphite Batteries. Batteries, 11(6), Article 210. https://doi.org/10.3390/batteries11060210

Alpiger, S. B., Gregory Smith , Pedersen, J. S., Møller, T. L., Henrik Vinther Sørensen & Corredig, M. (2025). Characterization of rapeseed protein supramolecular structures obtained by aqueous extractions. Food Hydrocolloids, 160 , Article 110770. https://doi.org/10.1016/j.foodhyd.2024.110770

Drejer, A. Ø., Schou Hansen, M., Johansen, M., Dunker, J., Poppe, R., Hadermann, J. & Ravnsbæk, D. B. (2025). Charge-Discharge Mechanisms in O3-Na_xFe_0.5Mn_0.5O₂ Na-Ion Battery Electrodes─Unraveling the Structure of the X-Phase. Chemistry of Materials, 37(14), 5234-5248. https://doi.org/10.1021/acs.chemmater.5c00961

Nakhaei, M., Nobre, M. A. L., Khoshnoud, D. S., Bremholm, M. & Khonakdar, H. A. (2025). Chemical synthesis, structural and magnetic properties of Al-doped neodymium orthoferrite. Journal of Alloys and Compounds, 1010, Article 176987. https://doi.org/10.1016/j.jallcom.2024.176987

Hillers-Bendtsen, A. E., Johansen, M. B., Juncker von Buchwald, T., Mikkelsen, K. V., Olsen, J., Jørgensen, P. & Helgaker, T. (2025). Cluster perturbation theory: XI. Excitation-energy series using a variational excitation-energy function. The Journal of Chemical Physics, 162(2), Article 024114. https://doi.org/10.1063/5.0236908

Johansen, M. B., Juncker von Buchwald, T., Iuel Lunøe Dünweber, P. G., Olsen, L. H., Hillers-Bendtsen, A. E., Kjeldal, F. I., Olsen, J., Jørgensen, P. & Mikkelsen, K. V. (2025). Cluster perturbation theory: XII. Parallel implementation of variational excitation energy series for the coupled cluster singles and doubles model. Journal of Chemical Physics, 162(21), Article 214110. https://doi.org/10.1063/5.0271032

Bendtsen, M. K., Nowak, J. S., Paiva, P., López Hernández, M., Ferreira, P., Pedersen, J. S., Bekker, N. S., Viezzi, E., Bisiak, F., Brodersen, D. E., Pedersen, L. H., Zervas, A., Fernandes, P. A., Ramos, M. J., Stougaard, P., Thøgersen, M. S. & Otzen, D. E. (2025). Cold-Active Starch-Degrading Enzymes from a Cold and Alkaline Greenland Environment: Role of Ca²⁺ Ions and Conformational Dynamics in Psychrophilicity. Biomolecules, 15(3), Article 415. https://doi.org/10.3390/biom15030415

Britz, D. & Strutwolf, J. (2025). Comments on A. Eswari and L. Rajendran, “Mathematical Modeling of Cyclic Voltammetry for EC Reaction” in Russ. J. Electrochem. 47 (2011) 195 and “Mathematical Modeling of Cyclic Voltammetry for EC2 Reaction”, in Russ. J. Electrochem. 47 (2011) 205. Russian Journal of Electrochemistry, 61(6), 239–242. https://doi.org/10.1134/S1023193525700041

Ehrenreich-Petersen, E., Nielsen, M. B., Ceresoli, D., Ottesen, M., Parisiades, P. & Bremholm, M. (2025). Comparing the compression behavior of the antiperovskites CePt₃Si, CePt₃B, and YPt₃B from combined X-ray diffraction experiments and density functional theory. Journal of Alloys and Compounds, 1010, Article 177204. https://doi.org/10.1016/j.jallcom.2024.177204

Neefjes, I., Reischl, B. & Yang, H. (2025). Comparison of collision rate coefficient model predictions for different interaction strengths and temperatures. Journal of Aerosol Science, 189, Article 106638. https://doi.org/10.1016/j.jaerosci.2025.106638

Jensen, T. R. & Černý, R. (2025). Complex metal hydridoborates. In Metal Hydrides for Hydrogen-Based Energy Storage, Volume 1: Fundamentals (Vol. 1, pp. 233-264). Elsevier. https://doi.org/10.1016/B978-0-443-33370-5.00002-7

Gouveia, G., Saateh, A., Swietlikowska, A., Scarpellini, C., Tsang, E., Altug, H., Merkx, M., Dillen, A., Leirs, K., Spasic, D., Lammertyn, J., Gothelf, K. V., Bonedeau, E., Porzberg, N., Smeets, R. L., Koenen, H. J. P. M., Prins, M. W. J. & de Jonge, M. I. (2025). Continuous Biosensing to Monitor Acute Systemic Inflammation, a Diagnostic Need for Therapeutic Guidance. ACS Sensors, 10(1), 4-14. https://doi.org/10.1021/acssensors.4c02569

Cao, F., Sørensen, S. S., Christensen, A. K. R., Mollick, S., Ge, X., Sun, D., Nielsen, A. B., Nielsen, N. C., Lock, N., Lu, R., Klemmt, R., Kristensen, P. K., Jensen, L. R., Dallari, F., Baglioni, J., Monaco, G., Karlsen, M. A., Baran, V. & Smedskjaer, M. M. (2025). Continuous structure modification of metal-organic framework glasses via halide salts. Nature Communications, 16(1), Article 7001. https://doi.org/10.1038/s41467-025-62143-9

Nielsen, A. B., Carvalho, J. P., Wili, N., Jensen, F. V., Goodwin, D. L., Untidt, T. S., Tošner, Z. & Nielsen, N. C. (2025). Controlling effective Hamiltonians: Broadband pulsed dynamic nuclear polarization by constrained random walk and non-linear optimization. The Journal of Chemical Physics, 163(14), Article 144111. https://doi.org/10.1063/5.0287050

Koppe, J., Yakimov, A. V., Gioffrè, D., Usteri, M. E., Vosegaard, T., Pintacuda, G., Lesage, A., Pell, A. J., Mitchell, S., Pérez-Ramírez, J. & Copéret, C. (2025). Coordination environments of Pt single-atom catalysts from NMR signatures. Nature, 642(8068), 613-619. https://doi.org/10.1038/s41586-025-09068-x

Bertelsen, A. D., Klemmt, R., Kolding, K. N., Bøjesen, E. D. & Iversen, B. B. (2025). Copper-Rich Pd_xCu_1–xAlloy Nanoparticles as Catalyst for Electrochemical Reduction of CO₂. Chemistry of Materials, 37(17), 6619-6628. https://doi.org/10.1021/acs.chemmater.5c01148

Janewithayapun, R., Cousin, F., de Moura Pereira, P. F., Herranz-Trillo, F., Terry, A. E., Pedersen, J. S., Jiménez-Quero, A. & Ström, A. (2025). Correlation between arabinose content and the conformation of arabinoxylan in water dispersions. Carbohydrate Polymers, 368(Part 2), Article 124082. https://doi.org/10.1016/j.carbpol.2025.124082

Andreasen, M. D., Souza, P. C. T., Schiøtt, B. & Zuzic, L. (2025). Creating Coarse-Grained Systems with COBY: Toward Higher Accuracy of Complex Biological Systems. Journal of Chemical Information and Modeling, 65(10), 4760-4766. https://doi.org/10.1021/acs.jcim.5c00069

Valli, D., Ooi, S. A., Kaya, I., Thomassen, A. B., Chaudhary, H., Weidner, T., Andrén, P. E. & Maj, M. (2025). Cryo-Electron Microscopy Provides Mechanistic Insights into Solution-Dependent Polymorphism and Cross-Aggregation Phenomena of the Human and Rat Islet Amyloid Polypeptides. Biochemistry, 64(12), 2583-2595. https://doi.org/10.1021/acs.biochem.5c00042

Andersen, H. L., Saura-Múzquiz, M., Granados-Miralles, C., Klemmt, R., Bøjesen, E. D. & Christensen, M. (2025). Crystal/magnetic structure and cation inversion in hydrothermally synthesized MnFe₂O₄, CoFe₂O₄, NiFe₂O₄, and ZnFe₂O₄ nanoparticles: a neutron powder diffraction study. CrystEngComm, 27(6), 850-864. https://doi.org/10.1039/d4ce01001a

Amdisen, M. B., Lee, Y.-S. & Jensen, T. R. (2025). Cyclopropylamine Magnesium Borohydrides as Solid-State Electrolytes. Inorganic Chemistry, 64(8), 3696-3706. https://doi.org/10.1021/acs.inorgchem.4c04287

Sun, D., Zhang, Q., Du, T., Youngman, R. E., Jensen, L. R., Wang, D., Yang, F., Klemmt, R. & Smedskjaer, M. M. (2025). Damage resistant and tolerant glass-ceramics with low-thermal expansion crystals. Journal of the European Ceramic Society, 45(7), Article 117226. https://doi.org/10.1016/j.jeurceramsoc.2025.117226

Ahongshangbam, E., Franzon, L., Almeida, T. G., Hasan, G., Frandsen, B. N. & Myllys, N. (2025). Decomposition pathways of isoprene-derived hydrotrioxides and their clustering abilities in the atmosphere. Physical chemistry chemical physics : PCCP, 27(11), 5889-5901. https://doi.org/10.1039/d4cp04329d

Guo, J., Li, P., Piccolo, F., Jie, Y., Jia, H., Cao, R., Jiao, S., Adelhelm, P. & Xu, Y. (2025). Degradation and Failure Mechanisms of Lithium/LiNi_xCo_yMn_1-x-yO₂ Batteries. ACS Energy Letters, 10(5), 2318-2340. https://doi.org/10.1021/acsenergylett.4c03578

Iversen, E. M., Bilde, M. & Pedersen, H. B. (2025). Developments at the AURA atmospheric simulation chamber to characterize chamber volume, air mixing, and charging. Aerosol Science and Technology, 59(5), 521-543. https://doi.org/10.1080/02786826.2024.2429658

Silva, R. C., Martins Ferreira Batista, G., Brocksom, T. J. & de Oliveira, K. T. (2025). Discovery of EDA-Complex Photochemical Reactions Using Computational Vision. Advanced Synthesis and Catalysis, 367(5), Article e202401045. https://doi.org/10.1002/adsc.202401045

Tsang, E., Scarpellini, C., Dillen, A., Jeminejs, A., Sivertsen, M. V. T., Sutherland, D. S., Lammertyn, J. & Gothelf, K. V. (2025). DNA Origami-Guided Assembly of Gold Nanoparticles for Plasmonic Enhancement in Fiber Optic Surface Plasmon Resonance Sensing. Small Methods, 9(12), Article e02111. https://doi.org/10.1002/smtd.202502111

Novosylna, O., Shalak, V., Dąbrowska, K., Patmanidis, I., Lozhko, D., Bondarchuk, T., Schiøtt, B., Pedersen, J. S., Knudsen, C. R., Nissen, P., Dadlez, M. & Negrutskii, B. (2025). Dynamics and structural features of the eEF1A1 and eEF1A2 paralogs. Nucleic Acids Research, 53(21), Article gkaf1177. https://doi.org/10.1093/nar/gkaf1177

Kristensen, L. R., Herrmann, G. J., Skibsted, J. & Jensen, T. R. (2025). Effect of Mechanical Pressure on the Ionic Conductivity of Sodium Dodecahydrido-closo-dodecaborate. ACS Materials Letters, 7(3), 990-995. https://doi.org/10.1021/acsmaterialslett.4c02153

Klemmt, R., Liu, A. C. Y., Hu, C., Biggs, M. J., Petersen, T. C. & Bøjesen, E. D. (2025). Effect of thickness and noise on angular correlation analysis from scanning electron nanobeam diffraction of disordered carbon. Journal of Applied Crystallography, 58(Pt 1), 31-41. https://doi.org/10.1107/S1600576724010586

Zheng, A. C., Zou, Y. B., Du, L., Zhang, Q., Daasbjerg, K. & Hu, X. M. (2025). Efficient Direct Air Capture in Industrial Cooling Towers Mediated by Electrochemical CO₂ Release. Angewandte Chemie - International Edition, 64(5), Article e202412697. https://doi.org/10.1002/anie.202412697

Hu, X.-M., Liang, H.-Q., Rosas-Hernández, A. & Daasbjerg, K. (2025). Electrochemical valorization of captured CO₂: recent advances and future perspectives. Chemical Society Reviews, 54(3), 1216-1250. https://doi.org/10.1039/d4cs00480a

Han, X., Liu, H., Cao, P., Tang, W., Zhang, C. Y., Biset-Peiró, M., Xiao, K., Tang, P., Heggen, M., Vega-Paredes, M., Garzón Manjón, A., Zheng, L., Dunin-Borkowski, R. E., Cabot, A., Daasbjerg, K., Morante, J. R., Zhang, T. & Arbiol, J. (2025). Electron delocalization engineering via hierarchical modulation in single-atom catalysts for highly efficient electrochemical CO₂ reduction. Chemical Engineering Journal, 507, Article 160634. https://doi.org/10.1016/j.cej.2025.160634

Salionov, D., Nikolic, M. & Glasius, M. (2025). Emission simulation using direct thermal extraction gas chromatography-mass spectrometry: Case study with curing of lignin-based binder. Journal of Chromatography A, 1753, Article 465970. https://doi.org/10.1016/j.chroma.2025.465970

Rodriguez-Palomo, A., Jacobsen, M. S. B., Christensen, T. E. K., Jørgensen, M. R. V., Kantor, I., Willan, G., Herrel, A., Marghoub, A., Moazen, M., Evans, S., Vickaryous, M., Williams, C. J. A. & Birkedal, H. (2025). Enamel-like stiffness achieved by poorly oriented nanocrystals in the capping tissue of Mexican beaded lizard osteoderms. Acta Biomaterialia, 204, 457-469. https://doi.org/10.1016/j.actbio.2025.08.025

Faghtmann, J., Østergaard, A. R., Fritz, F., Andresen, S. S. P. & Jørgensen, K. A. (2025). Enantioselective and Divergent Trienamine-Mediated Reactions of Halogenated Maleimides. Organic Letters, 27(20), 5236-5240. https://doi.org/10.1021/acs.orglett.5c01444

Faghtmann, J., Pladsbjerg Andresen, S. S., Rask Østergaard, A. & Anker Jørgensen, K. (2025). Enantioselective Cascade Reactions of Aminocatalytic Dienamines and Trienamines Initiated by a Cycloaddition Reaction. Chemistry - A European Journal, 31(1), Article e202403656. https://doi.org/10.1002/chem.202403656

Displaying results 101 to 150 out of 5241

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Department of Chemistry