Publications



2021


Ultrafast and long-time excited state kinetics of an NIR-emissive vanadium(iii) complex II. Elucidating triplet-to-singlet excited-state dynamics. / Zobel, J. Patrick (Corresponding author); Knoll, Thomas; Gonzalez, Leticia (Corresponding author).
In: Chemical Science, Vol. 12, No. 32, 05.2021, p. 10791-10801.

Publications: Contribution to journalArticlePeer Reviewed


Chemistry at graphene edges in the electron microscope. / Leuthner, Gregor T. (Corresponding author); Susi, Toma; Mangler, Clemens et al.
In: 2D Materials, Vol. 8, No. 3, 035023, 29.04.2021.

Publications: Contribution to journalArticlePeer Reviewed


Recent progress of 3D printed continuous fiber reinforced polymer composites based on fused deposition modeling: a review. / Zhang, Haiguang (Corresponding author); Huang, Tinglong; Jiang, Qixiang et al.
In: Journal of Materials Science, Vol. 56, 29.04.2021, p. 12999–13022.

Publications: Contribution to journalReviewPeer Reviewed


Escape dynamics of active particles in multistable potentials. / Militaru, A.; Innerbichler, M.; Frimmer, M. et al.
In: Nature Communications, Vol. 12, No. 1, 2446, 27.04.2021.

Publications: Contribution to journalArticlePeer Reviewed


Isotopic Labelling of Confined Carbyne. / Cui, Weili; Shi, Lei (Corresponding author); Cao, Kecheng et al.
In: Angewandte Chemie (International Edition), Vol. 60, No. 18, 26.04.2021, p. 9897-9901.

Publications: Contribution to journalArticlePeer Reviewed


Optimized effective potentials from the random-phase approximation: Accuracy of the quasiparticle approximation. / Riemelmoser, Stefan (Corresponding author); Kaltak, Merzuk; Kresse, Georg.
In: Journal of Chemical Physics, Vol. 154, No. 15, 154103, 21.04.2021.

Publications: Contribution to journalArticlePeer Reviewed


Validating fewest-switches surface hopping in the presence of laser fields. / Heindl, Moritz; Gonzalez, Leticia (Corresponding author).
In: Journal of Chemical Physics, Vol. 154, No. 14, 144102, 14.04.2021.

Publications: Contribution to journalArticlePeer Reviewed


Highly efficient bilateral doping of single-walled carbon nanotubes. / Goldt, Anastasia E.; Zaremba, Orysia T.; Bulavskiy, Mikhail O. et al.
In: Journal of Materials Chemistry C, Vol. 9, No. 13, 07.04.2021, p. 4514-4521.

Publications: Contribution to journalArticlePeer Reviewed


Deciphering the Intense Postgap Absorptions of Monolayer Transition Metal Dichalcogenides. / Hong, Jinhua (Corresponding author); Koshino, Masanori; Senga, Ryosuke et al.
In: ACS Nano, Vol. 15, No. 4, 05.04.2021, p. 7783-7789.

Publications: Contribution to journalArticlePeer Reviewed


A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase. / Cardenas, Gustavo; Marquetand, Philipp; Mai, Sebastian (Corresponding author) et al.
In: Catalysts : open access journal, Vol. 11, No. 4, 493, 04.2021.

Publications: Contribution to journalArticlePeer Reviewed


The morphology of doubly-clamped graphene nanoribbons. / Brand, Christian (Corresponding author); Monazam, Mohammad R A; Mangler, Clemens et al.
In: 2D Materials, Vol. 8, No. 2, 025035, 04.2021.

Publications: Contribution to journalArticlePeer Reviewed


Step-By-Step Atomic Insights into Structural Reordering from 2D to 3D MoS2. / Inani, Heena (Corresponding author); Shin, Dong Hoon; Madsen, Jacob et al.
In: Advanced Functional Materials, Vol. 31, No. 13, 2008395, 24.03.2021.

Publications: Contribution to journalArticlePeer Reviewed


Direct visualization of local deformations in suspended few-layer graphene membranes by coupled in situ atomic force and scanning electron microscopy. / Hummel, Stefan (Corresponding author); Elibol, Kenan; Zhang, Dengsong et al.
In: Applied Physics Letters, Vol. 118, No. 10, 103104, 08.03.2021.

Publications: Contribution to journalArticlePeer Reviewed


First-principles hydration free energies of oxygenated species at water-platinum interfaces. / Jinnouchi, Ryosuke (Corresponding author); Karsai, Ferenc; Verdi, Carla et al.
In: Journal of Chemical Physics, Vol. 154, No. 9, 094107, 07.03.2021.

Publications: Contribution to journalArticlePeer Reviewed


New insights into the 1D carbon chain through the RPA. / Ramberger, Benjamin; Kresse, Georg (Corresponding author).
In: Physical Chemistry Chemical Physics, Vol. 23, No. 9, 07.03.2021, p. 5254-5260.

Publications: Contribution to journalArticlePeer Reviewed


On the population of triplet states of 2-seleno-thymine. / Valverde, Danillo; Mai, Sebastian (Corresponding author); Sanches de Araujo, Adalberto Vasconcelos et al.
In: Physical Chemistry Chemical Physics, Vol. 23, No. 9, 07.03.2021, p. 5447-5454.

Publications: Contribution to journalArticlePeer Reviewed


Universal matter-wave interferometry as a sensor in atomic physics and physical chemistry. / Fein, Yaakov Y.; Gerlich, Stefan; Shayeghi, Armin et al.
Optical and Quantum Sensing and Precision Metrology. ed. / Selim M. Shahriar; Jacob Scheuer. Vol. 11700 SPIE, 2021. p. 17 - 27 1170008 (Proceedings of SPIE).

Publications: Contribution to bookContribution to proceedingsPeer Reviewed


Advanced First-Principle Modeling of RelativisticRuddlesden—Popper Strontium Iridates. / Liu, Peitao; Franchini, Cesare (Corresponding author).
In: Applied Sciences (Switzerland), Vol. 11, No. 6, 2527, 02.03.2021.

Publications: Contribution to journalReviewPeer Reviewed


Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a Jeff= 3/2 insulator. / Fiore Mosca, Dario; Pourovskii, Leonid V.; Kim, Beom Hyun et al.
In: Physical Review B, Vol. 103, No. 10, 104401, 01.03.2021.

Publications: Contribution to journalArticlePeer Reviewed