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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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Møller, T. L., Raak, N., Pedersen, J. S. & Corredig, M. (2025). Structural changes of calcium-depleted casein micelle suspensions studied by SAXS. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 711, Article 136274. https://doi.org/10.1016/j.colsurfa.2025.136274

Thorup, P. S., Stubkjær, R. B., Huynh, K.-K., Ventrapati, P., Vosegaard, E. S., Borup, A. B. & Iversen, B. B. (2025). Structural origins of ultralow glass-like thermal conductivity in AgGaGe₃Se₈. Science Advances, 11(24), Article eadv5865. https://doi.org/10.1126/sciadv.adv5865

Ma, L., Nemet, N. A. I., Bremholm, M., Sun, Z., Vestergaard, A. K., Li, Z. & Lauritsen, J. V. (2025). Surface compositional modification of Weyl semimetal Co₃Sn₂S₂(0001) from vacuum to electrochemical water splitting conditions. Applied Surface Science, 686, Article 162046. https://doi.org/10.1016/j.apsusc.2024.162046

Jeppesen, H. S., Marks, M. J., Cavaye, H., Ceccato, M., Parker, S. F. & Lock, N. (2025). Surface Properties of High-Performing Bi24O31Br10 and its Acid-Driven Conversion to BiOX Photocatalysts (X = Cl, Br). Journal of Physical Chemistry C, 129(10), 4998-5009. https://doi.org/10.1021/acs.jpcc.4c08560

Mahrt, F., Nikkho, S., Zaks, J., Uppal, G., Lam, A., Ammann, M. & Bertram, A. K. (2025). Surprising Crystallinity of Biomass Burning Secondary Organic Aerosol from Catechol and Nitrate Radical Reactions: Evidence and Possible Implications. Environmental Science and Technology, 59(32), 16923-16932. https://doi.org/10.1021/acs.est.5c06834

Uth, M., Hansen-Felby, M., Saugbjerg, J. R., Sommerfeldt, A., Pal, S., Henriksen, M. L., Pedersen, S. U. & Daasbjerg, K. (2025). Synthesis and reactivity of self-immolative pDTT-g-pGMA bottlebrush polymer. Express Polymer Letters, 19(12), 1216-1225. https://doi.org/10.3144/expresspolymlett.2025.90

Saura-Múzquiz, M., Eikeland, A. Z., Stingaciu, M., Andersen, H. L., Avdeev, M. & Christensen, M. (2025). Synthesis, Crystal Structure, Site Occupancy, and Magnetic Properties of Aluminum-Substituted M-Type Sr Hexaferrite SrFe_12-xAl_xO₁₉ Nanoparticles. Chemistry of Materials, 37(3), 884-896. https://doi.org/10.1021/acs.chemmater.4c02205

Baran, A., Jensen, T. R. & Polański, M. (2025). Synthesis of Mg₂FeH₆ by High-Temperature High-Pressure Reactive Planetary Ball Milling. Advanced Engineering Materials, 27(6), Article 2400425. https://doi.org/10.1002/adem.202400425

Dansirima, P., Grinderslev, J. B., Kristensen, L. G., Utke, R. & Jensen, T. R. (2025). Tailoring dehydrogenation in lithium borohydride – magnesium nickel hydride hydrogen storage systems with metal halide additives. International Journal of Hydrogen Energy, 98, 908-914. https://doi.org/10.1016/j.ijhydene.2024.12.124

Chorro, T. H. D., Kaussler, C., Kolodiazhnaia, J. V., Jensen, F., Skrydstrup, T. & Correia, C. R. D. (2025). Tandem synthesis of enantioenriched spirolactones via one-pot Heck-Matsuda reactions directly from nitroarenes. Organic Chemistry Frontiers , 12(4), 1257-1265. https://doi.org/10.1039/d4qo01979b

Grinderslev, J. B., Skibsted, J. & Jensen, T. R. (2025). The Effects of Nanoconfinement in LiBH₄·1/2CH₃NH₂-Al₂O₃ Composites. ACS Applied Energy Materials, 8(1), 298-305. https://doi.org/10.1021/acsaem.4c02360

Qiu, T., Qiu, Y., Yuan, Y., Su, R., Meng, X., Ma, J., Wang, X., Gu, Y., Wu, Z., Ning, Y., Hua, X., Liang, D. & Dong, D. (2025). The impacts of pollution sources and temperature on the light absorption of HULIS were revealed by UHPLC-HRMS/MS at the molecular structure level. Atmospheric Chemistry and Physics, 25(18), 11505-11516. https://doi.org/10.5194/acp-25-11505-2025

Zhang, Y., Pilati, D., Dong, M. & Howard, K. A. (2025). The interaction of PD-1/PD-L1 and its inhibition by anti-PD-L1 antibody at the single-molecule level. FEBS Letters. Advance online publication. https://doi.org/10.1002/1873-3468.70245

Pedersen, K. B., Ingólfsson, H. I., Ramirez-Echemendia, D. P., Borges-Araújo, L., Andreasen, M. D., Empereur-Mot, C., Melcr, J., Ozturk, T. N., Bennett, W. F. D., Kjølbye, L. R., Brasnett, C., Corradi, V., Khan, H. M., Cino, E. A., Crowley, J., Kim, H., Fábián, B., Borges-Araújo, A. C., Pavan, G. M. ... Marrink, S. J. (2025). The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior. ACS Central Science, 11(9), 1598-1610. https://doi.org/10.1021/acscentsci.5c00755

Ragnarsson, Á. S., Uriarte, I. L., Howell, C., Saeed, K. H. & Weidner, T. (2025). The Orientation of Human Fibrinogen at Biomedically Relevant Polydimethylsiloxane-Water Interfaces. Langmuir, 41(19), 12089-12095. https://doi.org/10.1021/acs.langmuir.5c00581

Thøgersen, J., Mishra, A., Weidner, T. & Jensen, F. (2025). The primary photolysis of aqueous acrylate. Physical chemistry chemical physics : PCCP, 27(39), 21297-21306. https://doi.org/10.1039/d5cp03023d

Kubečka, J., Knattrup, Y., Trolle, G. B., Reischl, B., Lykke-Møller, A. S., Elm, J. & Neefjes, I. (2025). Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling. ACS Omega, 10(34), 39148-39161. https://doi.org/10.1021/acsomega.5c05634

Kolokouris, D., Kalenderoglou, I. E., Duncan, A. L., Corey, R. A., Sansom, M. S. P. & Kolocouris, A. (2025). The Role of Cholesterol in M2 Clustering and Viral Budding Explained. Journal of Chemical Theory and Computation, 21(2), 912-932. https://doi.org/10.1021/acs.jctc.4c01026

Juul-Madsen, L., Cordua, N., Greve, R. D., Pedersen, K., Trinderup, H. H., Petersen, E. & Jensen, H. H. (2025). The Stereochemical Outcome of Galactosylations Is Influenced by Both the Position and Electron-Withdrawing Power of Distal Acyl Protecting Groups. The Journal of Organic Chemistry, 90(20), 6662-6671. https://doi.org/10.1021/acs.joc.4c02956

Huang, Y., Guo, J., He, Y., Jia, R., Kou, J., Liu, J., Skrydstrup, T. & Xin, Z. (2025). Three-dimensional flower-like organic-dye-intercalated layered double hydroxide composite for efficient photocatalysis in heterogeneous flow chemistry. Journal of Materials Chemistry C, 13(17), 8479-8484. https://doi.org/10.1039/d5tc00600g

Kvaal, S., Fredheim, H. R., Højlund, M. G. & Pedersen, T. B. (2025). Time-dependent Bivariational Principle: Theoretical Foundation for Real-Time Propagation Methods of Coupled-Cluster Type. Journal of Physical Chemistry A, 129(15), 3508-3521. https://doi.org/10.1021/acs.jpca.4c07417

Højlund, M. G., Zoccante, A., Jensen, A. B. & Christiansen, O. (2025). Time-Dependent Vibrational Coupled Cluster Theory With Static and Dynamic Basis Functions. Wiley Interdisciplinary Reviews: Computational Molecular Science, 15(1), Article e70001. https://doi.org/10.1002/wcms.70001

Christensen, J. K., Albrechtsen, S. H., Petersen, C. E., Schouder, C. A., Sánchez-Pérez, I., Carchi-Villalta, P. J., Bartolomei, M., Pirani, F., González-Lezana, T. & Stapelfeldt, H. (2025). Time-resolved solvation dynamics of Li⁺, Na⁺ and K⁺ ions in liquid helium nanodroplets. Physical chemistry chemical physics : PCCP, 27(45), 24184-24194. https://doi.org/10.1039/d5cp03894d

Paulsen, T. T., Kiib, A. E., Wørmer, G. J., Hacker, S. M. & Poulsen, T. B. (2025). Total syntheses of cyclohelminthol I-IV reveal a new cysteine-selective covalent reactive group. Chemical Science, 16(9), 3916-3927. https://doi.org/10.1039/d4sc08667h

Popel, A. J., Okhrimenko, D. V., Jensen, M., Rasmussen, K. H., Bøjesen, E. D., Ceccato, M., Sørensen, H. O., Lakshtanov, L. Z., Solvang, M. & Stipp, S. L. S. (2025). Toward a better understanding of the mechanisms that control dissolution of calcium aluminosilicate glass. Journal of Non-Crystalline Solids, 666, Article 123692. https://doi.org/10.1016/j.jnoncrysol.2025.123692

Skov, L. N., Grinderslev, J. B., Kjær, T. S. S., Kristensen, L. R. & Jensen, T. R. (2025). Towards Solid-State Batteries Using a Calcium Hydridoborate Electrolyte. Angewandte Chemie International Edition, 64(15), Article e202500613. https://doi.org/10.1002/anie.202500613

Marks, M. J., Frank, S., Henriksen, M. L., Jeppesen, H. S. & Lock, N. (2025). Tracking 2D-to-3D crystal growth of a layered material in situ with X-ray scattering. Nanoscale, 17(29), 17159-17173. https://doi.org/10.1039/d5nr00594a

Coulon, R., Gajan, D., Papawassiliou, W., Pell, A. J., Schlagnitweit, J., Fayon, F., Florian, P., Massiot, D., Afrough, A., Juhl, D. W., Vosegaard, T., Cerofolini, L., Lelli, M., Lucci, M., Luchinat, C., Aspers, R. L. E. G., Gómez, J. S., Kentgens, A. P. M., Lambregts, S. F. H. ... Lesage, A. (2025). Transforming solid-state nuclear magnetic resonance towards a chemistry-ready technique. Solid State Nuclear Magnetic Resonance, 140, Article 102048. https://doi.org/10.1016/j.ssnmr.2025.102048

Hu, Q., Sitsel, O., Bågenholm, V., Grønberg, C., Lyu, P., Pii Svane, A. S., Andersen, K. R., Laursen, N. S., Meloni, G., Nissen, P., Juhl, D. W., Nielsen, J. T., Nielsen, N. C. & Gourdon, P. (2025). Transition metal transporting P-type ATPases: terminal metal-binding domains serve as sensors for autoinhibitory tails. FEBS journal, 292(7), 1654-1674. https://doi.org/10.1111/febs.17330

Andersen, D. G., Pedersen, A. B., Montasell, M. C., Moesgaard, S., Bohn, A. B. & Zelikin, A. N. (2025). Transmembrane Activation of Catalysis and Protein Refolding in Synthetic Cells by Enzymes and Nanozymes. Advanced Functional Materials, 35(34), Article 2503381. https://doi.org/10.1002/adfm.202503381

Overby, M., Desdorf, L. M., Kjølbye, L., Rosendahl, T., Weick, J. P., Schiøtt, B., Berglund, N. A. & Müller, H. K. (2025). Transmembrane domain interactions underlie NSG1 regulation of sortilin ectodomain shedding. Journal of Biological Chemistry, 301(11), Article 110804. https://doi.org/10.1016/j.jbc.2025.110804

Bregnhøj, M., Wili, N., Nielsen, A. B., Jensen, S. J. K., Nørnberg, P., Nielsen, N. C., Skibsted, J. & Finster, K. (2025). Triboelectrically Mediated Surface Reduction of Quartz Sand by Tumbling in Hydrogen Gas. Journal of Physical Chemistry C, 129(24), 10900-10910. https://doi.org/10.1021/acs.jpcc.5c02082

Jensen, R. B. & Christiansen, O. (2025). Unitary vibrational coupled cluster: General theory and implementation. The Journal of Chemical Physics, 162(8), Article 084112. https://doi.org/10.1063/5.0249469

Guo, J. & Offer, G. J. (2025). Unlocking battery lifetime potential. Joule, 9(4), Article 101886. https://doi.org/10.1016/j.joule.2025.101886

Che, Y., Guo, J., Zheng, Y., Stroe, D. I., Liu, W., Hu, X. & Teodorescu, R. (2025). Unlocking Interpretable Prediction of Battery Random Discharge Capacity With Domain Adaptative Physics Constraint. Advanced Energy Materials, 15(13), Article 2405506. https://doi.org/10.1002/aenm.202405506

Brix, M. V. B., Kløve, M., Stubkjær, R. B., Kato, K. & Iversen, B. B. (2025). Unraveling the Crystal Structures of Ag ₂Ch (Ch = S, Se, Te) via Simultaneous X-Ray Diffraction and Total Scattering. Journal of the American Chemical Society, 147(29), 25858-25870. https://doi.org/10.1021/jacs.5c07875

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

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

Nielsen, T. M., Schlegel, N., Sanz Arjona, A., Klemmt, R., Rohde, R., Vosch, T., Bøjesen, E. D. & Jensen, K. M. Ø. (2025). Water-Based Synthesis of Supported Ultrasmall High-Entropy Alloy Nanoparticles. Nano Letters, 25(49), 16977-16984. https://doi.org/10.1021/acs.nanolett.5c03515

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 : PCCP, 27(10), 5326-5337. Advance online publication. 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

Displaying results 251 to 300 out of 5242

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Department of Chemistry