Materialdesign (WTN) Publikationen

Bondi, L., Garden, A., Totti, F., Jerabek, P., Brooker, S. (2022) . Quantitative Assessment of Ligand Substituent Effects on σ- and π-Contributions to Fe−N Bonds in Spin Crossover FeII Complexes. Chemistry - A European Journal, Vol. 28, 22, e202104314. DOI: https://doi.org/10.1002/chem.202104314 . OPEN ACCESS

Alvares, E., Jerabek, P., Shang, Y., Santhosh, A., Pistidda, C., Heo, T., Sundman, B., Dornheim, M. (2022) . Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study. Calphad, Vol. 77, 102426. DOI: https://doi.org/10.1016/j.calphad.2022.102426 .

Dreistadt, D., Le, T., Capurso, G., Bellosta von Colbe, J., Santhosh, A., Pistidda, C., Scharnagl, N., Ovri, H., Milanese, C., Jerabek, P., Klassen, T., Jepsen, J. (2022) . An effective activation method for industrially produced TiFeMn powder for hydrogen storage. Journal of Alloys and Compounds, Vol. 919, 165847. DOI: https://doi.org/10.1016/j.jallcom.2022.165847 .

Ghazanfari, M. R., Santhosh, A., Siemensmeyer, K., Fuß, F., Staab, L., Vrijmoed, J. C., Peters, B., Liesegang, M., Dehnen, S., Oeckler, O., Jerabek, P., Thiele, G. (2022) . Large Exchange Bias, High Dielectric Constant, and Outstanding Ionic Conductivity in a Single-Phase Spin Glass. Advanced Electronic Materials, Vol. 8, 11, 2200483. DOI: https://doi.org/10.1002/aelm.202200483 . OPEN ACCESS

Jerabek, P., Santhosh, A., Schwerdtfeger, P. (2022) . Relativistic Effects Stabilize Unusual Gold(II) Sulfate Structure via Aurophilic Interactions. Inorganic Chemistry, Vol. 61, 33, 13077-13084. DOI: https://doi.org/10.1021/acs.inorgchem.2c01512 .

Ghazanfari, M.R., Vittadello, L., Al-Sabbagh, D., Santhosh, A., Frankcom, C., Fuß, F., von Randow, C.A., Siemensmeyer, K., Vrijmoed, J.C., Emmerling, F., Jerabek, P., Imlau, M., Thiele, G. (2022) . Remarkable Infrared Nonlinear Optical, Dielectric, and Strong Diamagnetic Characteristics of Semiconducting K3[BiS3]. The Journal of Physical Chemistry Letters, Vol. 13, 30, 6987-6993. DOI: https://doi.org/10.1021/acs.jpclett.2c01689 .

Florez, E., Smits, O., Mewes, J., Jerabek, P., Schwerdtfeger, P. (2022) . From the gas phase to the solid state: The chemical bonding in the superheavy element flerovium. The Journal of Chemical Physics, Vol. 157, 6, 064304. DOI: https://doi.org/10.1063/5.0097642 .

Ghazanfari, M., Santhosh, A., Vrijmoed, J., Siemensmeyer, K., Peters, B., Dehnen, S., Jerabek, P., Thiele, G. (2022) . Large-scale synthesis of mixed valence K3[Fe2S4] with high dielectric and ferrimagnetic characteristics. RSC Advances, Vol. 12, 47, 30514-30521. DOI: https://doi.org/10.1039/D2RA05200H . OPEN ACCESS

Pasquini, L., Sakaki, K., Akiba, E., Allendorf, M.D., Alvares, E., Ares, J.R., Babai, D., Baricco, M., Bellosta Von Colbe, J., Bereznitsky, M., Buckley, C.E., Cho, Y.W., Cuevas, F., De Rango, P., Dematteis, E.M., Denys, R.V., Dornheim, M., Fernández, J.F., Hariyadi, A., Hauback, B.C., Heo, T.W., Hirscher, M., Humphries, T.D., Huot, J., Jacob, I., Jensen, T.R., Jerabek, P., Kang, S.Y., Keilbart, N., Kim, H., Latroche, M., Leardini, F., Li, H., Ling, S., Lototskyy, M.V., Mullen, R., Orimo, S.-I., Paskevicius, M., Pistidda, C., Polanski, M., Puszkiel, J., Rabkin, E., Sahlberg, M., Sartori, S., Santhosh, A., Sato, T., Shneck, R.Z., Sørby, M.H., Shang, Y., Stavila, V., Suh, J.-Y., Suwarno, S., Thi Thu, L., Wan, L.F., Webb, C.J., Witman, M., Wan, C., Wood, B.C., Yartys, V.A. (2022) . Magnesium- and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties. Progress in Energy, Vol. 4, 3, 032007. DOI: https://doi.org/10.1088/2516-1083/ac7190 . OPEN ACCESS

Jerabek, P., Burrows, A., Schwerdtfeger, P. (2022) . Solving a problem with a single parameter: a smooth bcc to fcc phase transition for metallic lithium. Chemical Communications : ChemComm, Vol. 58, 96, 13369-13372. DOI: https://doi.org/10.1039/D2CC04928G .

Publikationen der Abteilung WTN