Institut for Kemi

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Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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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, Artikel 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), Artikel 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 , Artikel 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-NaxFe0.5Mn0.5O2 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, Artikel 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), Artikel 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), Artikel 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), Artikel 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, Artikel 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, Artikel 106638. https://doi.org/10.1016/j.jaerosci.2025.106638
Jensen, T. R. & Černý, R. (2025). Complex metal hydridoborates. I Metal Hydrides for Hydrogen-Based Energy Storage, Volume 1: Fundamentals (Bind 1, s. 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), Artikel 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), Artikel 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 PdxCu1–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), Artikel 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), Artikel 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/LiNixCoyMn1-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), Artikel 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), Artikel 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), Artikel 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), Artikel 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, Artikel 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, Artikel 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), Artikel e202403656. https://doi.org/10.1002/chem.202403656
Obregón, E. B., Villaescusa, L., Trujillo-Sierra, J., Mastroddi, R. & Jørgensen, K. A. (2025). Enantioselective Formation of Isoxazolidines via Brønsted-Base Catalyzed (3 + 2) Annulation of Cyclopropanes with Nitrosoarenes. Journal of the American Chemical Society, 147(17), 14071-14076. https://doi.org/10.1021/jacs.5c04032
Nazari, P., Zhao, S., Christensen, O., Sun, Z., Ceccato, M., Lauritsen, J. V., Pedersen, S. U., Rossmeisl, J., Rosas-Hernández, A. & Daasbjerg, K. (2025). Enhancing Carbon Dioxide Reduction Performance on Copper via Surface Reconstruction Induced by Spontaneous Diazonium Salt Grafting. Journal of the American Chemical Society, 147(34), 31395-31408. https://doi.org/10.1021/jacs.5c11431
Donath, T., Trampari, S., Wagner, L., Jørgensen, M. R. V., Gjørup, F. H., Checchia, S., Di Michiel, M., Papillon, E. & Vaughan, G. (2025). Enhancing high-energy powder X-ray diffraction applications using a PILATUS4 CdTe detector. Journal of Synchrotron Radiation, 32(Pt 2), 378-384. https://doi.org/10.1107/S1600577525000566

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Institut for Kemi