Publications
2022
peri-Acenoacene Ribbons with Zigzag BN-Doped Peripheries. / Franceschini, Marco; Crosta, Martina; Ferreira, Ruben R. et al.
In: Journal of the American Chemical Society, Vol. 144, No. 47, 30.11.2022, p. 21470-21484.Publications: Contribution to journal › Article › peer-review
Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and projector augmented-wave methods. / Humer, Moritz (Corresponding author); Harding, Michael E.; Schlipf, Martin et al.
In: Journal of Chemical Physics, Vol. 157, No. 19, 194113, 21.11.2022.Publications: Contribution to journal › Article › peer-review
Atomic-Scale Oxygen-Mediated Etching of 2D MoS2 and MoTe2. / Ahlgren, E. Harriet (Corresponding author); Markevich, Alexander; Scharinger, Sophie et al.
In: Advanced Materials Interfaces, Vol. 9, No. 32, 2200987, 14.11.2022.Publications: Contribution to journal › Article › peer-review
Functional flexibility: The potential of morphing composites. / Jones, Mitchell P.; Murali, Gokul G.; Laurin, Frederic et al.
In: Composites Science and Technology, Vol. 230, 109792, 10.11.2022.Publications: Contribution to journal › Article › peer-review
Retraction Note: Precise determination of graphene functionalization by in situ Raman spectroscopy. / Vecera, Philipp; Chacón-Torres, Julio C.; Pichler, Thomas et al.
In: Nature Communications, Vol. 13, No. 1, 6637, 04.11.2022.Publications: Contribution to journal › Correction › peer-review
Nonadiabatic excited-state dynamics of ReCl(CO)3(bpy) in two different solvents. / Šrut, Adam; Mai, Sebastian; Sazanovich, Igor V et al.
In: Physical Chemistry Chemical Physics, Vol. 24, No. 42, 02.11.2022, p. 25864-25877.Publications: Contribution to journal › Article › peer-review
Correction : Role of Polarons in Single-Atom Catalysts: Case Study of Me 1 [Au 1, Pt 1, and Rh 1] on TiO 2(110) (Topics in Catalysis, (2022), 65, 17-18, (1620-1630), 10.1007/s11244-022-01651-0). / Sombut, Panukorn; Puntscher, Lena; Atzmueller, Marlene et al.
In: Topics in Catalysis, Vol. 65, No. 17-18, 11.2022, p. 1631-1631.Publications: Contribution to journal › Correction › peer-review
Liquid-liquid extraction using combined hydrophilic-hydrophobic emulsion templated macroporous polymer micromixer-settlers. / Barkan-Öztürk, Hande; Delorme, Joanna; Menner, Angelika et al.
In: Chemical Engineering and Processing - Process intensification, Vol. 181, 109153, 11.2022.Publications: Contribution to journal › Article › peer-review
Role of Polarons in Single-Atom Catalysts : Case Study of Me1 [Au1, Pt1, and Rh1] on TiO2(110). / Sombut, Panukorn; Puntscher, Lena; Atzmueller, Marlene et al.
In: Topics in Catalysis, Vol. 65, No. 17-18, 11.2022, p. 1620–1630.Publications: Contribution to journal › Article › peer-review
White-noise fluctuation theorem for Langevin dynamics. / Innerbichler, M.; Militaru, A.; Frimmer, M. et al.
In: New Journal of Physics, Vol. 24, No. 11, 113028, 11.2022.Publications: Contribution to journal › Article › peer-review
Computation of Förster Resonance Energy Transfer in Lipid Bilayer Membranes. / Jacobi, Richard; Hernandez-Castillo, David; Sinambela, Novitasari et al.
In: The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 126, No. 43, 19.10.2022, p. 8070–8081.Publications: Contribution to journal › Article › peer-review
X-ray absorption using the projector augmented-wave method and the Bethe-Salpeter equation. / Unzog, Martin (Corresponding author); Tal, Alexey (Corresponding author); Kresse, Georg (Corresponding author).
In: Physical Review B, Vol. 106, No. 15, 155133, 18.10.2022.Publications: Contribution to journal › Article › peer-review
Corrugations in Free-Standing Graphene. / Singh, Rajendra; Scheinecker, Daniel; Ludacka, Ursula et al.
In: Nanomaterials, Vol. 12, No. 20, 3562, 11.10.2022.Publications: Contribution to journal › Article › peer-review
Ultra-Clean Isotope Engineered Double-Walled Carbon Nanotubes as Tailored Hosts to Trace the Growth of Carbyne. / Cui, Weili (Corresponding author); Simon, Ferenc; Zhang, Yifan et al.
In: Advanced Functional Materials, Vol. 32, No. 41, 2206491, 10.10.2022.Publications: Contribution to journal › Article › peer-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.
In: Physical Sciences Reviews, Vol. 7, No. 10, 10.2022, p. 1187-1208.Publications: Contribution to journal › Article › peer-review
Deep Learning the Functional Renormalization Group. / Di Sante, Domenico (Corresponding author); Medvidović, Matija; Toschi, Alessandro et al.
In: Physical Review Letters, Vol. 129, No. 13, 136402, 21.09.2022.Publications: Contribution to journal › Article › peer-review
Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields. / Tröster, A. (Corresponding author); Verdi, C.; Dellago, C. et al.
In: Physical Review Materials, Vol. 6, No. 9, 094408, 16.09.2022.Publications: Contribution to journal › Article › peer-review
Nanoscale Magnetism Probed in a Matter-Wave Interferometer. / Fein, Yaakov Y. (Corresponding author); Pedalino, Sebastian; Shayeghi, Armin et al.
In: Physical Review Letters, Vol. 129, No. 12, 123001, 16.09.2022.Publications: Contribution to journal › Article › peer-review
The influence of anisotropy on the microstructure and magnetic properties of dipolar nanoplatelet suspensions. / Rosenberg, Margaret (Corresponding author); Kantorovich, Sofia.
In: Physical Chemistry Chemical Physics, Vol. 25, No. 4, 14.09.2022, p. 2781-2792.Publications: Contribution to journal › Article › peer-review
Repurposing Fischer-Tropsch and natural gas as bridging technologies for the energy revolution. / Jones, Mitchell P.; Krexner, Theresa; Bismarck, Alexander (Corresponding author).
In: Energy conversion and management, Vol. 267, 115882, 01.09.2022.Publications: Contribution to journal › Review › peer-review