Antti Karttunen

2025

Mono-, Di-, and Trinuclear Complex Anions of RuF₅ in Rb[RuF₆], Cs[Ru₂F₁₁], and [O₂][Ru₃F₁₆]

Koch, B., Graubner, T., Karttunen, A. J. & Kraus, F., 10 Jan 2025, (E-pub ahead of print) In: European Journal of Inorganic Chemistry. e202400767.

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Reactions of Binary Nitrides in Liquid Hydrogen Fluoride and the First Calcium Oxidofluoridometallate of a Group Six Element Ca[Mo₂O₂F₉]₂ ⋅ HF

Wassermann, T. B., Link, L., Niewa, R., Karttunen, A. J. & Kraus, F., 16 Jan 2025, (E-pub ahead of print) In: European Journal of Inorganic Chemistry. e202400748.

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Stable Operation of Copper-Protected La(FeMnSi)₁₃H_y Regenerators in a Magnetic Cooling Unit

Weiß, N. P., Rocabert, U., Hoppe, C., Zwick, J.-P., Loewe, K., Fries, M., Karttunen, A. J., Gutfleisch, O. & Muench, F., 24 Jan 2025, In: ACS Applied Engineering Materials. 3, 1, p. 256-265 10 p.

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2024

[Br₄F₂₁]⁻ - a unique molecular tetrahedral interhalogen ion containing a μ₄-bridging fluorine atom surrounded by BrF₅ molecules

Möbs, M., Graubner, T., Karttunen, A. J. & Kraus, F., 7 Mar 2024, In: Chemical Science. 15, 9, p. 3273-3278

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Ba₁₂[BN₂]_6.67H₄: A Disordered Anti-Skutterudite filled with Nitridoborate Anions

Wandelt, S. L., Mutschke, A., Khalyavin, D., Steinadler, J., Karttunen, A. J. & Schnick, W., 22 Jan 2024, In: Angewandte Chemie - International Edition. 63, 4, 6 p., e202316469.

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Bis(2-chloroethyl)sulfane revisited: (ClH₄C₂)₂S···S(C₂H₄Cl) dimers by S···S interaction in the solid state

Kraus, F., Graubner, T., Buchner, M. R., Metzulat, M. & Karttunen, A. J., 17 Dec 2024, In: Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences. 79, 12, p. 605-617 13 p.

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Bismuth as a Z-Type Ligand: an Unsupported Pt−Bi Donor-Acceptor Interaction and its Umpolung by Reaction with H₂

Schwarzmann, J., Eskelinen, T., Reith, S., Ramler, J., Karttunen, A. J., Poater, J. & Lichtenberg, C., 7 Oct 2024, In: Angewandte Chemie - International Edition. 63, 41, 7 p., e202410291.

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Centrosymmetric to non-centrosymmetric transition in the Ca_2−xMn_xTi₂O₆ double perovskite system studied through structural analysis and dielectric properties

Albrecht, E. K., Siponkoski, T., Rautama, E.-L., Karppinen, M. & Karttunen, A. J., 14 Apr 2024, In: Dalton Transactions. 53, 14, p. 6282-6288

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Chemical Bonding and Crystal Structure Schemes in Atomic/Molecular Layer Deposited Fe-Terephthalate Thin Films

Jussila, T., Philip, A., Rubio-Giménez, V., Eklund, K., Vasala, S., Glatzel, P., Lindén, J., Motohashi, T., Karttunen, A. J., Ameloot, R. & Karppinen, M., 9 Jul 2024, In: Chemistry of Materials. 36, 13, p. 6489–6503

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Dedoping of Carbon Nanotube Networks Containing Metallic Clusters and Chloride

Conley, K., Mikladal, B., Gadgil, B., Etula, J., Juntunen, T., Varjos, I. & Karttunen, A. J., 31 Oct 2024, In: Journal of Physical Chemistry C. 128, 43, p. 18442-18450 9 p.

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Direct Band Gap Semiconductors with Two- and Three-Dimensional Triel-Phosphide Frameworks (Triel=Al, Ga, In)

Restle, T. M. F., Zeitz, S., Stanley, P. M., Karttunen, A. J., Meyer, J., Raudaschl-Sieber, G., Klein, W. & Fässler, T. F., 25 Mar 2024, In: Chemistry - A European Journal. 30, 18, 10 p., e202304097.

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Enhancing 360° virtual laboratory safety training with linear learning pathway design: Insights from student experiences

Girmay, S., Yliniemi, K., Nieminen, M., Linnera, J. & Karttunen, A. J., Apr 2024, In: Education for Chemical Engineers. 47, p. 12-21 10 p.

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Further Insights into the Chemical Synthesis of F₂ and on Drying moist HF

Möbs, M., Karttunen, A. J., Christe, K. O. & Kraus, F., 22 Apr 2024, In: Inorganic Chemistry. 63, 16, p. 7105-7112 8 p.

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Low-Temperature Single-Crystal Structure and Phonon Properties of A-Site Ordered Double Perovskite CaMnTi₂O₆

Albrecht, E. K., Graubner, T., Ivlev, S. I., Rautama, E.-L., Karppinen, M., Kraus, F. & Karttunen, A. J., 4 Oct 2024, In: ChemistrySelect. 9, 37, 6 p., e202402132.

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Massive reduction in lattice thermal conductivity and strongly enhanced thermoelectric properties in Ge- and Se-doped CoSbS

Kousar, H. S., Srivastava, D., Karttunen, A. J., Karppinen, M. & Tewari, G. C., 14 Dec 2024, In: Journal of Materials Chemistry A. 12, 46, p. 32338-32348

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Pyroelectricity in Ferroelectric PbTiO₃ Enhanced by A-Site Cation Contribution and Negative Thermal Expansion

Eklund, K. & Karttunen, A. J., 26 Sept 2024, In: Journal of Physical Chemistry C. 128, 38, p. 16199-16207

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Synthesis, Characterization, and Polymorphism of [H₃O][NbF₆]: A Polar and Possibly Ferroelectric Oxonium Salt

Möbs, M., Sachs, M., Rolheiser, K., Pietzonka, C., Karttunen, A. J. & Kraus, F., 22 May 2024, In: European Journal of Inorganic Chemistry. 27, 15, 15 p., e202400015.

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The Non-Centrosymmetric Borate Hydride Sr₄Ba₃(BO₃)_3.83H_2.5

Mutschke, A., Wylezich, T., Beran, P., Hölderle, T., Baran, V., Avdeev, M., Karttunen, A. J. & Kunkel, N., 12 Nov 2024, In: Chemistry - A European Journal. 30, 63, 8 p., e202403048.

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Uranium Chemistry in liquid Ammonia: Compounds obtained by adventitious Presence of Moisture or Air

Graubner, T., Woidy, P., Baer, S. A., Karttunen, A. J. & Kraus, F., 13 May 2024, In: European Journal of Inorganic Chemistry. 27, 14, 19 p., e202300752.

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Uranium Cyanides from Reactions in Liquid Ammonia Solution

Graubner, T., Rudel, S. S., Ivlev, S. I., Karttunen, A. J. & Kraus, F., 3 Jun 2024, In: European Journal of Inorganic Chemistry. 27, 16, 10 p., e202400041.

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Visualizing Noncovalent Interactions and Property Prediction of Submicron-Sized Charge-Transfer Crystals from ab-initio Determined Structures

Lv, Z.-P., Srivastava, D., Conley, K., Ruoko, T.-P., Xu, H., Lightowler, M., Hong, X., Cui, X., Huang, Z., Yang, T., Wang, H.-Y., Karttunen, A. J. & Bergström, L., 19 Jul 2024, In: Small Methods. 8, 7, 10 p., 2301229.

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Young Researcher Symposium : Finnish Chemistry Days and ChemBio Finland : Helsinki, Finland 10.-11.4.2024 : abstract book

Lundell, J. (Editor), Karttunen, A. (Editor) & Joensuu, P. (Editor), 2024, Jyväskylän yliopisto. 53 p.

Research output: Book/Report › Anthology › Scientific › peer-review

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2023

[(μ₃-F)(BrF₅)₃]⁻ – An Unprecedented Molecular Fluoridobromate(V) Anion in Cs[Br₃F₁₆]

Möbs, M., Graubner, T., Karttunen, A. J. & Kraus, F., 1 Sept 2023, In: Chemistry: A European Journal. 29, 49, e202301876.

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A Computational Study on Closed-Shell Molecular Hexafluorides MF₆ (M=S, Se, Te, Po, Xe, Rn, Cr, Mo, W, U) – Molecular Structure, Anharmonic Frequency Calculations, and Prediction of the NdF₆ Molecule

Graubner, T., Karttunen, A. J. & Kraus, F., 2 May 2023, In: ChemPhysChem. 24, 9, e202200903.

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A Dinuclear Uranium Complex [{UO₂F₂(NH₃)}₂(μ-F)₂]²⁻ from Reaction of TlF and UO₂F₂ in Liquid Anhydrous Ammonia and Fluoride Ion Affinities for Some Uranyl(VI) Species [UO₂F_x]^2−x and [UO₂F_x(NH₃)_5−x]^2−x

Graubner, T., Karttunen, A. J. & Kraus, F., 2 Oct 2023, In: European Journal of Inorganic Chemistry. 26, 28, 10 p., e202300387.

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3 Citations (Scopus)

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A Fresh Look at a Well-Known Solid: Structure, Vibrational Spectra, and Formation Energy of NaNH₂

Bonometti, L., Kraus, F., Graubner, T., Karttunen, A. J., Civalleri, B., Donà, L. & Maschio, L., 29 Jun 2023, In: Journal of Physical Chemistry C. 127, 25, p. 12287–12294

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Discrete Mono-, Di-, and Trinuclear Anions [MoOF₅]⁻, [Mo^VOF₅]^2-, [MoO₂F₄]^2-, [Mo₂O₂F₉]⁻, [Mo₃O₃F₁₃]⁻, and the Infinite Chain Anion [MoO₂F₃]⁻ Obtained from Reactions of MoOF₄: Synthesis and Analysis of the Structure-Chemical Relations of the Compounds

Wassermann, T. B., Stene, R. E., Scheibe, B., Karttunen, A. J. & Kraus, F., 21 Aug 2023, In: Inorganic Chemistry. 62, 33, p. 13435-13452

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Elastic Properties of Binary d-Metal Oxides Studied by Hybrid Density Functional Methods

Eklund, K., Alajoki, J. & Karttunen, A. J., 3 May 2023, In: Crystal Growth and Design. 23, 5, p. 3427–3436

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Enhancing electrocatalytic activity in metallic thin films through surface segregation of carbon

Kousar, A., Quliyeva, U., Pande, I., Sainio, J., Julin, J., Sajavaara, T., Karttunen, A. J. & Laurila, T., 12 Dec 2023, In: Physical Chemistry Chemical Physics. 26, 3, p. 2355-2362 8 p.

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Evolutionary Algorithm-Based Crystal Structure Prediction of Cu_xZn_yO_z Ternary Oxides

Kuklin, M. S. & Karttunen, A. J., 10 Aug 2023, In: Molecules. 28, 16, 13 p., 5986.

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Experimental and computational study of the role of defects and secondary phases on the thermoelectric properties of TiNi_1+xSn (0 ≤ x ≤ 0.12) half Heusler compounds

Ascrizzi, E., Casassa, S., Daga, L. E., Dasmahapatra, A., Maschio, L., Karttunen, A. J., Boldrini, S., Ferrario, A., Fanciulli, C., Aversano, F., Baricco, M. & Castellero, A., 30 Jul 2023, In: Nanotechnology. 34, 31, 9 p., 315703.

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Fast and Tunable Phosphorescence from Organic Ionic Crystals

Partanen, I., Al-Saedy, O., Eskelinen, T., Karttunen, A. J., Saarinen, J. J., Mrózek, O., Steffen, A., Belyaev, A., Chou, P.-T. & Koshevoy, I. O., 4 Sept 2023, In: Angewandte Chemie - International Edition. 62, 36, 9 p., e202305108.

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16 Citations (Scopus)

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Investigation on the predictive power of tolerance factor τ for A-site double perovskite oxides

Albrecht, E. K. & Karttunen, A. J., 21 Sept 2023, In: Dalton Transactions. 52, 35, p. 12461-12469 9 p.

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Lithium-ion Mobility in Li₆B₁₈(Li₃N) and Li Vacancy Tuning in the Solid Solution Li₆B₁₈(Li₃N)_1−x(Li₂O)_x

Restle, T. M. F., Scherf, L., Dums, J. V., Mutschke, A. G., Spranger, R. J., Kirchhain, H., Karttunen, A. J., van Wüllen, L. & Fässler, T. F., 1 Mar 2023, In: Angewandte Chemie - International Edition. 62, 10, 9 p., e202213962.

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4 Citations (Scopus)

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Mechanical Properties of Polypropylene–Cellulose Biocomposites: Molecular Dynamics Simulations Combined with Constant Strain Method

Möttönen, N. B. & Karttunen, A. J., 22 Jan 2023, In: Molecules. 28, 3, 11 p., 1115.

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Mechanism of Li-Ion Migration in the Superionic Conducting Open-Framework Structure Li₆B₁₈(Li₃N)_1-x(Li₂O)_x(0 ≤ x ≤ 1)

Spranger, R. J., Kirchhain, H., Restle, T. M. F., Dums, J. V., Karttunen, A. J., Van Wüllen, L. & Fässler, T. F., 26 Jan 2023, In: Journal of Physical Chemistry C. 127, 3, p. 1622–1632

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2 Citations (Scopus)

Overcoming the Sticking Point: Electrical Conductivity of Carbon Nanotube Networks Containing 3d Metals

Conley, K. & Karttunen, A. J., 4 May 2023, In: Journal of Physical Chemistry C. 127, 17, p. 8208–8216

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Probing Charge-Transfer Processes in a Covalently Linked [Ge₉]-Cluster Imine Dyad

Wallach, C., Selic, Y., Geitner, F. S., Kumar, A., Thyrhaug, E., Hauer, J., Karttunen, A. J. & Fässler, T. F., 17 Jul 2023, In: Angewandte Chemie - International Edition. 62, 29, e202304088.

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Pyroelectric Effect in Tetragonal Ferroelectrics BaTiO₃ and KNbO₃ Studied with Density Functional Theory

Eklund, K. & Karttunen, A. J., 9 Nov 2023, In: Journal of Physical Chemistry C. 127, 44, p. 21806-21815 10 p.

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Structural characteristics of mixed nido-[Si_9−xGe_x]⁴⁻ (x=1, 2) Zintl clusters in solution and within solvent crystals

Jantke, L.-A., Karttunen, A. J. & Fässler, T. F., 1 Feb 2023, In: Zeitschrift fur Anorganische und Allgemeine Chemie. 649, 3, 10 p., e202200276.

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Student experiences from virtual reality-based chemistry laboratory exercises

Viitaharju, P., Nieminen, M., Linnera, J., Yliniemi, K. & Karttunen, A. J., Jul 2023, In: Education for Chemical Engineers. 44, p. 191-199 9 p.

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2022

A Symmetric F−H−F Hydrogen Bond in Strontium Bifluoride, Sr[HF₂]₂

Stene, R. E., Graubner, T., Ivlev, S. I., Karttunen, A. J. & Kraus, F., 25 May 2022, In: Zeitschrift fur Anorganische und Allgemeine Chemie. 648, 10, 7 p., e202100374.

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Bridging the Junction: Electrical Conductivity of Carbon Nanotube Networks

Conley, K. & Karttunen, A. J., 13 Oct 2022, In: Journal of Physical Chemistry C. 126, 40, p. 17266–17274

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Bromine Pentafluoride BrF₅, the Formation of [BrF₆]⁻ Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs

Möbs, M., Graubner, T., Eklund, K., Karttunen, A. J. & Kraus, F., 27 Dec 2022, In: Chemistry: A European Journal. 28, 72, 16 p., e202202466.

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Chemi-Inspired Silicon Allotropes—Experimentally Accessible Si₉ Cages as Proposed Building Block for 1D Polymers, 2D Sheets, Single-Walled Nanotubes, and Nanoparticles

Jantke, L.-A., Karttunen, A. J. & Fässler, T. F., 1 Feb 2022, In: Molecules. 27, 3, 15 p., 822.

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Effect of the Dopant Configuration on the Electronic Transport Properties of Nitrogen-Doped Carbon Nanotubes

Eklund, K. & Karttunen, A. J., 7 Jan 2022, In: Nanomaterials. 12, 2, 11 p., 199.

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Electronic Properties and Lattice Dynamics of Li_xCoO₂ and Na_xCoO₂ (x = 0, 0.5, 1) Studied by Hybrid Density Functional Theory

Mattila, N. & Karttunen, A. J., Apr 2022, In: Physica Status Solidi (B) Basic Research. 259, 4, 10 p., 2100665.

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Erratum: Probing lattice dynamics in ST 12 phase germanium nanowires by Raman spectroscopy (Appl. Phys. Lett. (2021) 119 (232105) DOI: 10.1063/5.0066744)

Raha, S., Srivastava, D., Biswas, S., Garcia-Gil, A., Karttunen, A. J., Holmes, J. D. & Singha, A., 7 Mar 2022, 2 p.

Research output: Other contribution › Scientific

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Expanding the hydride chemistry: antiperovskites A₃MO₄H (A = Rb, Cs; M = Mo, W) introducing the transition oxometalate hydrides

Mutschke, A., Schulz, A., Bertmer, M., Ritter, C., Karttunen, A. J., Kieslich, G. & Kunkel, N., 25 May 2022, In: Chemical Science. 13, 26, p. 7773–7779

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Free and open source software for computational chemistry education

Lehtola, S. & Karttunen, A. J., Sept 2022, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 12, 5, 33 p., e1610.

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Antti Karttunen

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