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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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Nielsen, I. G., Kløve, M., Roelsgaard, M., Dippel, A. C. & Iversen, B. B. (2023). In situ X-ray diffraction study of the solvothermal formation mechanism of gallium oxide nanoparticles. Nanoscale, 15(11), 5284-5292. https://doi.org/10.1039/d2nr07128b

Isakov, M., Langi, V., Pun, L., Soares, G. C., Kantor, I., Jørgensen, M. R. V. & Hokka, M. (2023). In-Situ X-ray Diffraction Analysis of Metastable Austenite Containing Steels Under Mechanical Loading at a Wide Strain Rate Range. Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, 54(4), 1320-1331. https://doi.org/10.1007/s11661-023-06986-1

Thorup, P. S., Christensen, R. S., Roelsgaard, M. & Iversen, B. B. (2023). Operando X-ray scattering study of segmented thermoelectric Zn₄Sb₃. Journal of Materials Chemistry A, 11, 5819-5829. https://doi.org/10.1039/d2ta09948a

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, [140395]. https://doi.org/10.1016/j.cplett.2023.140395

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), [e202303170]. https://doi.org/10.1002/anie.202303170

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), [2208220]. https://doi.org/10.1002/adma.202208220

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

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

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), [L161103]. https://doi.org/10.1103/PhysRevB.107.L161103

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

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

Thomas, S. P., Worthy, A., Eikeland, E. Z., Thompson, A. J., Grosjean, A., Tolborg, K., Krause, L., Sugimoto, K., Spackman, M. A., McMurtrie, J. C., Clegg, J. K. & Iversen, B. B. (2023). Coordination Sphere Flexibility Leads to Elastic Deformation in a One-Dimensional Coordination Polymer Crystal. Chemistry of Materials, 35(6), 2495-2502. https://doi.org/10.1021/acs.chemmater.2c03625

Bhatia, H., Martin, C., Keshavarz, M., Dovgaliuk, I., Schrenker, N. J., Ottesen, M., Qiu, W., Fron, E., Bremholm, M., Van de Vondel, J., Bals, S., Roeffaers, M. B. J., Hofkens, J. & Debroye, E. (2023). Deciphering the Role of Water in Promoting the Optoelectronic Performance of Surface-Engineered Lead Halide Perovskite Nanocrystals. ACS Applied Materials and Interfaces, 15(5), 7294-7307. https://doi.org/10.1021/acsami.2c20605

Peru, F., Payandeh, S., Jensen, T. R., Charalambopoulou, G. & Steriotis, T. (2023). Destabilization of the LiBH₄–NaBH₄ Eutectic Mixture through Pore Confinement for Hydrogen Storage. Inorganics, 11(3), [128]. https://doi.org/10.3390/inorganics11030128

Sandemann, J. R., Grønbech, T. B. E., Støckler, K. A. H., Ye, F., Chakoumakos, B. C. & Iversen, B. B. (2023). Direct Visualization of Magnetic Correlations in Frustrated Spinel ZnFe₂O₄. Advanced Materials, 35(5), [2207152]. https://doi.org/10.1002/adma.202207152

Mahant, S., Iversen, E. M., Kasparoglu, S., Bilde, M. & Petters, M. D. (2023). Direct measurement of the viscosity of ternary aerosol mixtures. Environmental Science: Atmospheres, 3(3), 595-607. https://doi.org/10.1039/d2ea00160h

Zhang, J., Ishikawa, D., Koza, M. M., Nishibori, E., Song, L., Baron, A. Q. R. & Iversen, B. B. (2023). Dynamic Lone Pair Expression as Chemical Bonding Origin of Giant Phonon Anharmonicity in Thermoelectric InTe. Angewandte Chemie International Edition, 62(13), [e202218458]. https://doi.org/10.1002/anie.202218458

Roth, N. & Brummerstedt Iversen, B. (2023). Dynamic correlations and possible diffusion pathway in the superionic conductor Cu_2-xSe. IUCrJ, 10(2), 199-209. https://doi.org/10.1107/S2052252523001318

Zelikin, A. N., Andersen, E. S. & Städler, B. (2023). Editorial for the Special Issue 'Synthetic Biology and Biomimicry'. Small, 19(13), [e2301160]. https://doi.org/10.1002/smll.202301160

Nakhaei, M., Khoshnoud, D. S., Bremholm, M., Nobre, M. A. L. & Khonakdar, H. A. (2023). Effects of Al doping on physical properties and photocatalytic activity of neodymium orthoferrite. Journal of Sol-Gel Science and Technology, 105(1), 246-265. https://doi.org/10.1007/s10971-022-05956-0

Huynh, T. P., Chen, Y., Bach-Gansmo, F. L., Dehli, J., Ibsen, V. N., Foss, M., Tvilum, A. S., Zelikin, A. N. & Birkedal, H. (2023). Efficient Wet Adhesion through Mussel-Inspired Proto-Coacervates. Advanced Materials Interfaces, 10(1), [2201491]. https://doi.org/10.1002/admi.202201491

Leiszner, S. S., Chakarawet, K., Long, J. R., Nishibori, E., Sugimoto, K., Platts, J. A. & Overgaard, J. (2023). Electron Density Analysis of Metal-Metal Bonding in a Ni₄ Cluster Featuring Ferromagnetic Exchange. Inorganic Chemistry, 62(1), 192-200. https://doi.org/10.1021/acs.inorgchem.2c03170

Beyer, J., Grønbech, T. B. E., Zhang, J., Kato, K. & Iversen, B. B. (2023). Electron density and thermal motion of diamond at elevated temperatures. Acta Crystallographica Section A: Foundations and Advances, 79(Part 1), 41-50. https://doi.org/10.1107/S2053273322010154

Ma, F., Xie, H-B., Zhang, R., Su, L., Jiang, Q., Tang, W., Chen, J., Engsvang, M., Elm, J. & He, X-C. (2023). Enhancement of Atmospheric Nucleation Precursors on Iodic Acid-Induced Nucleation: Predictive Model and Mechanism. Environmental Science & Technology, 57(17), 6944-6954. https://doi.org/10.1021/acs.est.3c01034

Hong, W., Luthra, M., Jakobsen, J. B., Madsen, M. R., Castro, A. C., Hammershøj, H. C. D., Pedersen, S. U., Balcells, D., Skrydstrup, T., Daasbjerg, K. & Nova, A. (2023). Exploring the Parameters Controlling Product Selectivity in Electrochemical CO₂ Reduction in Competition with Hydrogen Evolution Employing Manganese Bipyridine Complexes. ACS Catalysis, 13(5), 3109-3119. https://doi.org/10.1021/acscatal.2c05951

Broge, N. L. N., Bertelsen, A. D., Søndergaard-Pedersen, F. & Iversen, B. B. (2023). Facile Solvothermal Synthesis of Pt-Ir-Pd-Rh-Ru-Cu-Ni-Co High-Entropy Alloy Nanoparticles. Chemistry of Materials, 35(1), 144-153. https://doi.org/10.1021/acs.chemmater.2c02842

Rasmussen, H. Ø., Kumar, A., Shin, B., Stylianou, F., Sewell, L., Xu, Y., Otzen, D. E., Pedersen, J. S. & Matthews, S. J. (2023). FapA is an Intrinsically Disordered Chaperone for Pseudomonas Functional Amyloid FapC. Journal of Molecular Biology, 435(2), [167878]. https://doi.org/10.1016/j.jmb.2022.167878

Christensen, T. E. K., Chua, J. Q. I., Wittig, N. K., Jørgensen, M. R. V., Kantor, I., Thomsen, J. S., Miserez, A. & Birkedal, H. (2023). Flexible design in the stomatopod dactyl club. IUCrJ, 10(3). https://doi.org/10.1107/S2052252523002075

Snellings, R., Suraneni, P. & Skibsted, J. (2023). Future and emerging supplementary cementitious materials. Cement and Concrete Research, 171, [107199]. https://doi.org/10.1016/j.cemconres.2023.107199

Panda, D. P., Swain, D., Sarkar, S. & Sundaresan, A. (2023). Halogen Bond Induced Structural and Photophysical Properties Modification in Organic-Inorganic Hybrid Manganese Halides. The Journal of Physical Chemistry Letters, 14(18), 4211-4218. https://doi.org/10.1021/acs.jpclett.3c00656

Toropainen, A., Kangasluoma, J., Vehkamäki, H. & Kubečka, J. (2023). Heterogeneous Ion-Induced Nucleation of Water and Butanol Vapors Studied via Computational Quantum Chemistry beyond Prenucleation and Critical Cluster Sizes. Journal of Physical Chemistry A, 127(18), 3976–3990. https://doi.org/10.1021/acs.jpca.3c00066

Zhou, C., Sun, H., Wang, Q., Grinderslev, J. B., Liu, D., Yan, Y. & Jensen, T. R. (2023). Highly electrochemically stable Li₂B₁₂H₁₂-Al₂O₃ nanocomposite electrolyte enabling A 3.8 V room-temperature all-solid-state Li-ion battery. Journal of Alloys and Compounds, 938, [168689]. https://doi.org/10.1016/j.jallcom.2022.168689

Ulucan, T. H., Akhade, S. A., Ambalakatte, A., Autrey, T., Cairns, A., Chen, P., Cho, Y. W., Gallucci, F., Gao, W., Grinderslev, J. B., Grubel, K., Jensen, T. R., de Jongh, P. E., Kothandaraman, J., Lamb, K. E., Lee, Y. S., Makhloufi, C., Ngene, P., Olivier, P. ... Weidenthaler, C. (2023). Hydrogen storage in liquid hydrogen carriers: recent activities and new trends. Progress in Energy, 5(1), [012004]. https://doi.org/10.1088/2516-1083/acac5c

Parmar, V. S., Thiel, A. M., Nabi, R., Gransbury, G. K., Norre, M. S., Evans, P., Corner, S. C., Skelton, J. M., Chilton, N. F., Mills, D. P. & Overgaard, J. (2023). Influence of pressure on a dysprosocenium single-molecule magnet. Chemical Communications, 59(18). https://doi.org/10.1039/D2CC06722F

Abdolmaleki, H., Astri Bjørnetun Haugen, A., Buhl, K. B., Daasbjerg, K. & Agarwala, S. (2023). Interfacial Engineering of PVDF‐TrFE toward Higher Piezoelectric, Ferroelectric, and Dielectric Performance for Sensing and Energy Harvesting Applications. Advanced Science, 10(6), [2205942]. https://doi.org/10.1002/advs.202205942

Pedersen, S. S., Batista, G. M. F., Henriksen, M. L., Hammershøj, H. C. D., Hopmann, K. H. & Skrydstrup, T. (2023). Lignocellulose Conversion via Catalytic Transformations Yields Methoxyterephthalic Acid Directly from Sawdust. JACS Au, 3(4), 1221–1229. https://doi.org/10.1021/jacsau.3c00092

Golbek, T. W., Okur, H. I., Kulik, S., Dedic, J., Roke, S. & Weidner, T. (2023). Lysozyme Interaction with Phospholipid Nanodroplets Probed by Sum Frequency Scattering Vibrational Spectroscopy. Langmuir, 39(18), 6447–6454. https://doi.org/10.1021/acs.langmuir.3c00276

Amdisen, M. B., Grinderslev, J. B., Skov, L. N. & Jensen, T. R. (2023). Methylamine Magnesium Borohydrides as Electrolytes for All-Solid-State Magnesium Batteries. Chemistry of Materials, 35(3), 1440-1448. https://doi.org/10.1021/acs.chemmater.2c03641

Gupta, S. K., Nielsen, H. H., Thiel, A. M., Klahn, E. A., Feng, E., Cao, H. B., Hansen, T. C., Lelièvre-Berna, E., Gukasov, A., Kibalin, I., Dechert, S., Demeshko, S., Overgaard, J. & Meyer, F. (2023). Multi-Technique Experimental Benchmarking of the Local Magnetic Anisotropy of a Cobalt(II) Single-Ion Magnet. JACS Au, 3(2), 429-440. https://doi.org/10.1021/jacsau.2c00575

Thøgersen, J., Chatterley, A. S., Weidner, T. & Jensen, F. (2023). Peptide Bond of Aqueous Dipeptides Is Resilient to Deep Ultraviolet Irradiation. Journal of the American Chemical Society, 145(17), 9777–9785. https://doi.org/10.1021/jacs.3c01469

Pellejero, L. B., Nijenhuis, M. A. D., Ricci, F. & Gothelf, K. (2023). Protein-Templated Reactions Using DNA-Antibody Conjugates. Small, 19(13), [2200971]. https://doi.org/10.1002/smll.202200971

Olenius, T., Bergström, R., Kubečka, J., Myllys, N. & Elm, J. (2023). Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches. Environmental Science: Atmospheres, 2023(3), 552-567. https://doi.org/10.1039/d2ea00174h

Nakhaei, M., Nobre, M. A. L., Khoshnoud, D. S., Bremholm, M. & Khonakdar, H. A. (2023). Structural, magnetic and electrical properties of Y_1-xSc_xFeO₃ (x= 0, 0.5 & 1) nanoparticles synthesized by the sol-gel method. Ceramics International, 49(10), 15818-15828. https://doi.org/10.1016/j.ceramint.2023.01.177

Quinson, J., Aalling-Frederiksen, O., Dacayan, W. L., Bjerregaard, J. D., Jensen, K. D., Jørgensen, M. R. V., Kantor, I., Sørensen, D. R., Theil Kuhn, L., Johnson, M. S., Escudero-Escribano, M., Simonsen, S. B. & Jensen, K. M. Ø. (2023). Surfactant-Free Colloidal Syntheses of Gold-Based Nanomaterials in Alkaline Water and Mono-alcohol Mixtures. Chemistry of Materials, 35(5), 2173-2190. https://doi.org/10.1021/acs.chemmater.3c00090

Zuzic, L., Stange, A. D., Bavnhøj, L., Driller, J. H., Schiøtt, B. & Pedersen, B. P. (2023). Sweet and sour transport: Simulation insights into H⁺/sugar symport in plants. Biophysical journal, 122(3S1), 197a. https://doi.org/10.1016/j.bpj.2022.11.1201

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Marianne Sommer