Publications



2021


Toughening by revitrification of Li2SiO3 crystals in Obsidian® dental glass-ceramic. / Lubauer, Julia (Corresponding author); Hurle, Katrin; Cicconi, Maria Rita et al.

In: Journal of the Mechanical Behavior of Biomedical Materials, Vol. 124, 104739, 12.2021.

Publications: Contribution to journalArticlepeer-review


Unraveling the Excitonic Transition and Associated Dynamics in Confined Long Linear Carbon Chains with Time-Resolved Resonance Raman Scattering. / Zhu, Jingyi (Corresponding author); Bernhardt, Robin; Cui, Weili et al.

In: Laser & Photonics Reviews, Vol. 15, No. 12, 2100259, 12.2021.

Publications: Contribution to journalArticlepeer-review


High finesse microcavities in the optical telecom O-band. / Fait, Jan; Putz, Stefan; Wachter, Georg et al.

In: Applied Physics Letters, Vol. 119, No. 22, 221112, 29.11.2021.

Publications: Contribution to journalArticlepeer-review


Excellence in Excrements: Upcycling of Herbivore Manure into Nanocellulose and Biogas. / Weiland, Kathrin; Wlcek, Bernhard; Krexner, Theresa et al.

In: ACS Sustainable Chemistry & Engineering, Vol. 9, No. 46, 22.11.2021, p. 15506-15513.

Publications: Contribution to journalArticlepeer-review


Single-, double-, and triple-slit diffraction of molecular matter waves. / Brand, Christian (Corresponding author); Troyer, Stephan; Knobloch, Christian et al.

In: American Journal of Physics, Vol. 89, No. 12, 22.11.2021, p. 1132-1138.

Publications: Contribution to journalArticlepeer-review


A Density Matrix Renormalization Group Study of the Low-Lying Excited States of a Molybdenum Carbonyl-Nitrosyl Complex. / Freitag, Leon; Lindenbauer, Leopold; Oppel, Markus et al.

In: ChemPhysChem: a European journal of chemical physics and physical chemistry, Vol. 22, No. 22, 18.11.2021, p. 2371-2377.

Publications: Contribution to journalArticlepeer-review


Carbon Nano-onions : Potassium Intercalation and Reductive Covalent Functionalization. / Pérez-Ojeda, M. Eugenia (Corresponding author); Castro, Edison; Kröckel, Claudia et al.

In: Journal of the American Chemical Society, Vol. 143, No. 45, 17.11.2021, p. 18997–19007.

Publications: Contribution to journalArticlepeer-review


Rapid oxygen exchange between hematite and water vapor. / Jakub, Zdenek; Meier, Matthias; Kraushofer, Florian et al.

In: Nature Communications, Vol. 12, No. 1, 6488, 10.11.2021.

Publications: Contribution to journalArticlepeer-review


Magnetostriction in elastomers with mixtures of magnetically hard and soft microparticles : Effects of nonlinear magnetization and matrix rigidity. / Stolbov, Oleg V.; Sánchez, Pedro A.; Kantorovich, Sofia S. et al.

Magnetic Hybrid-Materials: Multi-scale Modelling, Synthesis, and Applications. ed. / Stefan Odenbach. Berlin ; Boston : De Gruyter, 2021. p. 459-480.

Publications: Contribution to bookChapterpeer-review


Flux and separation of magneto-active superballs in applied fields. / Kaiser, Martin (Corresponding author); Kantorovich, Sofia S.

In: Physical Chemistry Chemical Physics, Vol. 23, No. 41, 07.11.2021, p. 23827-23835.

Publications: Contribution to journalArticlepeer-review


Flexibility Enhances Reactivity: Redox Isomerism and Jahn-Teller Effects in a Bioinspired Mn4O4 Cubane Water Oxidation Catalyst. / Schwiedrzik, Ludwig (Corresponding author); Brieskorn, Vera; Gonzalez, Leticia.

In: ACS Catalysis, Vol. 11, No. 21, 05.11.2021, p. 13320-13329.

Publications: Contribution to journalArticlepeer-review


High-Velocity Stretching of Renewable Polymer Blends. / Eichelter, Johanna; Wilhelm, Harald; Mautner, Andreas et al.

In: Journal of Polymers and the Environment, Vol. 29, No. 11, 11.2021, p. 3509-3524.

Publications: Contribution to journalArticlepeer-review


Oxygen-Doped PAH Electrochromes: Difurano, Dipyrano, and Furano-Pyrano Containing Naphthalene-Cored Molecules. / Fletcher-Charles, Jack; Ferreira, Ruben R.; Abraham, Michael et al.

In: European Journal of Organic Chemistry, Vol. 2022, No. 2, e202101166, 11.2021.

Publications: Contribution to journalArticlepeer-review


Surface Hopping Dynamics on Vibronic Coupling Models. / Zobel, J. Patrick (Corresponding author); Heindl, Moritz; Plasser, Felix et al.

In: Accounts of Chemical Research, Vol. 54, No. 20, 19.10.2021, p. 3760-3771.

Publications: Contribution to journalArticlepeer-review


Topological and threading effects in polydisperse ring polymer solutions. / Chubak, Iurii; Likos, Christos N. (Corresponding author); Smrek, Jan.

In: Molecular Physics, Vol. 119, No. 19-20, e1883140, 18.10.2021.

Publications: Contribution to journalArticlepeer-review


Diagrammatic quantum Monte Carlo study of an acoustic lattice polaron. / Hahn, Thomas (Corresponding author); Nagaosa, Naoto; Franchini, Cesare et al.

In: Physical Review B, Vol. 104, No. 16, L161111, 15.10.2021.

Publications: Contribution to journalArticlepeer-review


Jahn-Teller Effects in a Vanadate-Stabilized Manganese-Oxo Cubane Water Oxidation Catalyst. / Mai, Sebastian (Corresponding author); Holzer, Marcus; Andreeva, Anastasia et al.

In: Chemistry: A European Journal, Vol. 27, No. 68, 13.10.2021, p. 17066-17077.

Publications: Contribution to journalArticlepeer-review


Emulsion-Templated Macroporous Polymer Micromixers. / Barkan-Öztürk, Hande; Menner, Angelika; Bismarck, Alexander (Corresponding author).

In: Industrial & Engineering Chemistry Research, Vol. 60, No. 39, 06.10.2021, p. 14013-14025.

Publications: Contribution to journalArticlepeer-review


Nonrad: Computing nonradiative capture coefficients from first principles. / Turiansky, Mark E. (Corresponding author); Alkauskas, Audrius; Engel, Manuel et al.

In: Computer Physics Communications, Vol. 267, 108056, 10.2021.

Publications: Contribution to journalArticlepeer-review


Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials. / Verdi, Carla (Corresponding author); Karsai, Ferenc; Liu, Peitao et al.

In: npj Computational Materials, Vol. 7, No. 1, 156, 30.09.2021.

Publications: Contribution to journalArticlepeer-review