Publications

Showing entries 161 - 180 out of 1283

2023

High Porosity Poly(ether ketone ketone): Influence of Solvents on Foam Properties. / Rusakov, Dmitrii; Menner, Angelika (Corresponding author); Bismarck, Alexander (Corresponding author).
In: Macromolecular Materials and Engineering, Vol. 308, No. 6, 2200704, 06.2023.

Publications: Contribution to journal › Article › Peer Reviewed

The kinetics of the ice-water interface from ab initio machine learning simulations. / Montero de Hijes, P.; Romano, S.; Gorfer, A. et al.
In: Journal of Chemical Physics, Vol. 158, No. 20, 204706, 28.05.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Covalent bonding strategy to enable non-volatile organic cation perovskite for highly stable and efficient solar cells. / Liu, Kai; Rafique, Saqib; Musolino, Stefania F. et al.
In: Joule, Vol. 7, No. 5, 17.05.2023, p. 1033-1050.

Publications: Contribution to journal › Article › Peer Reviewed

Decoupling Chemically Active 2D Molecular Overlayers from the Substrate: Chlorophenyl Porphyrins on Graphene/Ir(111). / Mowbray, Duncan John; Paz, Alejandro Pérez; Ferreira, Rodrigo C.C. et al.
In: Journal of Physical Chemistry C, Vol. 127, No. 18, 11.05.2023, p. 8751–8758.

Publications: Contribution to journal › Article › Peer Reviewed

Foaming of oxidized nanocellulose for the preparation of high-flux water filters. / Fortea-Verdejo, Marta; Jiang, Qixiang; Bismarck, Alexander et al.
In: Monatshefte fur Chemie, Vol. 154, No. 5, 05.2023, p. 523-532.

Publications: Contribution to journal › Article › Peer Reviewed

Experimental and Ab-Initio Investigation of the Electrical Conductivity of Emeraldine Salt. / Ergönenç Yavas, Zeynep (Corresponding author); Cevher, Duygu; Silis, Hasan Töre et al.
In: Journal of Physical Chemistry C, Vol. 127, No. 14, 13.04.2023, p. 6813–6824.

Publications: Contribution to journal › Article › Peer Reviewed

Proton Transport in Perfluorinated Ionomer Simulated by Machine-Learned Interatomic Potential. / Jinnouchi, Ryosuke (Corresponding author); Minami, Saori; Karsai, Ferenc et al.
In: Journal of Physical Chemistry Letters, Vol. 14, No. 14, 13.04.2023, p. 3581-3588.

Publications: Contribution to journal › Article › Peer Reviewed

Oxygen-Terminated (1 × 1) Reconstruction of Reduced Magnetite Fe3O4(111). / Kraushofer, Florian; Meier, Matthias; Jakub, Zdeněk et al.
In: Journal of Physical Chemistry Letters, Vol. 14, No. 13, 06.04.2023, p. 3258-3265.

Publications: Contribution to journal › Article › Peer Reviewed

Poly(acrylamide-co-styrene): A Macrosurfactant for Oil/Water Emulsion Templating toward Robust Macroporous Hydrogels. / Muratspahic, Emina; Schöffmann, Jana; Jiang, Qixiang (Corresponding author) et al.
In: Macromolecules, Vol. 56, No. 8, 04.04.2023, p. 3213–3223.

Publications: Contribution to journal › Article › Peer Reviewed

Efficient Reverse Intersystem Crossing in Carbene-Copper-Amide TADF Emitters via an Intermediate Triplet State. / Zobel, J. Patrick (Corresponding author); Wernbacher, Anna M.; González, Leticia (Corresponding author).
In: Angewandte Chemie - International Edition, Vol. 62, No. 15, e202217620, 03.04.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Machine-guided path sampling to discover mechanisms of molecular self-organization. / Jung, Hendrik; Covino, Roberto; Arjun, A. et al.
In: Nature Computational Science, Vol. 3, No. 4, 04.2023, p. 334–345.

Publications: Contribution to journal › Article › Peer Reviewed

Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory. / Bowman, Gregory R.; Cox, Stephen J.; Dellago, Christoph et al.
In: Annual Review of Physical Chemistry, Vol. 74, 04.2023, p. 1-27.

Publications: Contribution to journal › Review › Peer Reviewed

Silica aerogel infused hierarchical glass fiber polymer composites. / Anthony, David B.; Nguyen, Sang N.; Qian, Hui et al.
In: Composites Communications, Vol. 39, 101531, 04.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Switching-field and first-order-reversal-curve distribution measurements in magnetic elastomers by molecular dynamics simulations: Accounting for polydispersity. / Dobroserdova, Alla B.; Novak, Ekaterina V.; Kantorovich, Sofia S.
In: Physical Review E, Vol. 107, No. 4, 044606, 04.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Temperature-Dependent Anharmonic Phonons in Quantum Paraelectric KTaO3 by First Principles and Machine-Learned Force Fields. / Ranalli, Luigi; Verdi, Carla; Monacelli, Lorenzo et al.
In: Advanced Quantum Technologies, Vol. 6, No. 4, 2200131, 04.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Vortex Counting and Velocimetry for Slitted Superconducting Thin Strips. / Bevz, V.M.; Mikhailov, M.Yu.; Budinská, B. et al.
In: Physical Review Applied, Vol. 19, No. 3, 034098, 30.03.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Minimum in the pressure dependence of the interfacial free energy between ice Ih and water. / Montero De Hijes, P.; R Espinosa, J.; Vega, C. et al.
In: Journal of Chemical Physics, Vol. 158, No. 12, 124503, 28.03.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Nonadiabatic Forward Flux Sampling for Excited-State Rare Events. / Reiner, Madlen Maria; Bachmair, Brigitta; Tiefenbacher, Maximilian Xaver et al.
In: Journal of Chemical Theory and Computation, Vol. 19, No. 6, 28.03.2023, p. 1657–1671.

Publications: Contribution to journal › Article › Peer Reviewed

Polaron with quadratic electron-phonon interaction. / Ragni, Stefano; Hahn, Thomas; Zhang, Zhongjin et al.
In: Physical Review B, Vol. 107, No. 12, L121109, 15.03.2023.

Publications: Contribution to journal › Article › Peer Reviewed

Experimental challenges for high-mass matter-wave interference with nanoparticles. / Pedalino, Sebastian; Galindo, Bruno Ramírez; Sousa, Tomas de et al.
In: Proceedings of SPIE, Vol. 12447, 124470K , 08.03.2023.

Publications: Contribution to journal › Meeting abstract/Conference paper › Peer Reviewed

Showing entries 161 - 180 out of 1283