Publications 2021

Showing entries 61 - 80 out of 104
The Role of Triplet States in the Photodissociation of a Platinum Azide Complex by a Density Matrix Renormalization Group Method. / Freitag, Leon (Corresponding author); Gonzalez, Leticia.
In: Journal of Physical Chemistry Letters, Vol. 12, No. 20, 27.05.2021, p. 4876-4881.

Publications: Contribution to journal › Article › Peer Reviewed

α−β phase transition of zirconium predicted by on-the-fly machine-learned force field. / Liu, Peitao (Corresponding author); Verdi, Carla; Karsai, Ferenc et al.
In: Physical Review Materials, Vol. 5, No. 5, 053804, 24.05.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Influence of biological origin on the tensile properties of cellulose nanopapers. / Kontturi, Katri S.; Lee, Koon-Yang; Jones, Mitchell P. et al.
In: Cellulose, Vol. 28, No. 10, 22.05.2021, p. 6619–6628.

Publications: Contribution to journal › Article › Peer Reviewed

Grafting density induced reentrant disorder-order-disorder transition in planar di-block copolymer brushes. / Capone, Barbara (Corresponding author); Likos, Christos N.; Coluzza, Ivan.
In: Soft Matter, Vol. 17, No. 18, 14.05.2021, p. 4719-4729.

Publications: Contribution to journal › Article › Peer Reviewed

Multiscale Approaches for Confined Ring Polymer Solutions. / Chubak, Iurii (Corresponding author); Likos, Christos N. (Corresponding author); Egorov, Sergei A. (Corresponding author).
In: Journal of Physical Chemistry B, Vol. 125, No. 18, 13.05.2021, p. 4910–4923.

Publications: Contribution to journal › Article › Peer Reviewed

A perspective: Is viscosity the key to open the next door for foam templating? / Jiang, Qixiang; Bismarck, Alexander (Corresponding author).
In: Reactive & Functional Polymers, Vol. 162, 104877, 05.2021.

Publications: Contribution to journal › Article › Peer Reviewed

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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Review › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer Reviewed

Showing entries 61 - 80 out of 104