Publications 2019


Showing entries 41 - 60 out of 141

Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes. / Plasser, Felix (Corresponding author); Mai, Sebastian; Fumanal, Maria; Gindensperger, Etienne; Daniel, Chantal; Gonzalez, Leticia.

In: Journal of Chemical Theory and Computation, Vol. 15, No. 9, 09.2019, p. 5031-5045.

Publication: Contribution to journalArticlepeer-review


The Role of Electronic Triplet States and High-Lying Singlet States in the Deactivation Mechanism of the Parent BODIPY: An ADC(2) and CASPT2 Study. / De Vetta, Martina; Gonzalez, Leticia; Corral, Ines (Corresponding author).

In: ChemPhotoChem, Vol. 3, No. 9, 09.2019, p. 727-738.

Publication: Contribution to journalArticlepeer-review


Waste-Derived Low-Cost Mycelium Nanopapers with Tunable Mechanical and Surface Properties. / Jones, Mitchell; Weiland, Kathrin; Kujundzic, Marina; Theiner, Johannes; Kaehlig, Hanspeter; Kontturi, Eero; John, Sabu; Bismarck, Alexander; Mautner, Andreas (Corresponding author).

In: Biomacromolecules, Vol. 20, No. 9, 09.2019, p. 3513-3523.

Publication: Contribution to journalArticlepeer-review


Directional and regioselective hole injection of spiropyran photoswitches intercalated into A/T-duplex DNA. / Avagliano, Davide; Sanchez-Murcia, Pedro A. (Corresponding author); Gonzalez, Leticia (Corresponding author).

In: Physical Chemistry Chemical Physics, Vol. 21, No. 32, 28.08.2019, p. 17971-17977.

Publication: Contribution to journalArticlepeer-review


Oxidation stability of confined linear carbon chains, carbon nanotubes, and graphene nanoribbons as 1D nanocarbons. / Cui, Weili; Saito, Takeshi; Ayala, Paola; Pichler, Thomas; Shi, Lei (Corresponding author).

In: Nanoscale, Vol. 11, No. 32, 28.08.2019, p. 15253-15258.

Publication: Contribution to journalArticlepeer-review


Multi-particle collision dynamics for a coarse-grained model of soft colloids. / Ruiz-Franco, Jose; Jaramillo-Cano, Diego; Camargo, Manuel (Corresponding author); Likos, Christos N. (Corresponding author); Zaccarelli, Emanuela (Corresponding author).

In: Journal of Chemical Physics, Vol. 151, No. 7, 074902, 21.08.2019.

Publication: Contribution to journalArticlepeer-review


Parametrization of LSDA plus U for noncollinear magnetic configurations: Multipolar magnetism in UO2. / Dudarev, S. L. (Corresponding author); Liu, P.; Andersson, D. A.; Stanek, C. R.; Ozaki, T.; Franchini, C.

In: Physical Review Materials, Vol. 3, No. 8, 083802, 19.08.2019.

Publication: Contribution to journalArticlepeer-review


Substitutional Si impurities in monolayer hexagonal boron nitride. / Monazam, Mohammad Reza Ahmadpour (Corresponding author); Ludacka, Ursula; Komsa, Hannu-Pekka; Kotakoski, Jani.

In: Applied Physics Letters, Vol. 115, No. 7, 071604, 16.08.2019.

Publication: Contribution to journalArticlepeer-review


Computational analysis of conductivity contributions in an ionic liquid mixture of 1-ethyl-3-methylimidazolium dicyanamide and tetrafluoroborate. / Zeindlhofer, Veronika; Zehetner, Leopold; Paschinger, Werner; Bismarck, Alexander; Schroeder, Christian (Corresponding author).

In: Journal of Molecular Liquids, Vol. 288, 110993, 15.08.2019.

Publication: Contribution to journalArticlepeer-review


Influence of Local Defects on the Dynamics of O-H Bond Breaking and Formation on a Magnetite Surface. / Bourgund, Alexander; Lechner, Barbara A. J. (Corresponding author); Meier, Matthias; Franchini, Cesare; Parkinson, Gareth S.; Heiz, Ueli; Esch, Friedrich.

In: Journal of Physical Chemistry C, Vol. 123, No. 32, 15.08.2019, p. 19742-19747.

Publication: Contribution to journalArticlepeer-review


Non-equilibrium effects of molecular motors on polymers. / Foglino, M.; Locatelli, E. (Corresponding author); Brackley, C. A.; Michieletto, D.; Likos, C. N.; Marenduzzo, D.

In: Soft Matter, Vol. 15, No. 29, 07.08.2019, p. 5995-6005.

Publication: Contribution to journalArticlepeer-review


Patterned Ultra-Thin Gold Nanostructures on Graphene. / Zagler, Georg (Corresponding author); Mangler, Clemens; Kotakoski, Jani.

In: Microscopy and Microanalysis, Vol. 25, No. S2, 05.08.2019, p. 1530-1531.

Publication: Contribution to journalMeeting abstract/Conference paperpeer-review


Quantifying Elastic and Inelastic Electron Irradiation Damage in Transmission Electron Microscopy of 2D Materials. / Susi, Toma (Corresponding author); Lehnert, Tibor; Kaiser, Ute; Meyer, Jannik; Kotakoski, Jani.

In: Microscopy and Microanalysis, Vol. 25, No. S2, 05.08.2019, p. 454-455.

Publication: Contribution to journalMeeting abstract/Conference paperpeer-review


Electron-Beam Manipulation of Lattice Impurities in Graphene and Single-Walled Carbon Nanotubes. / Susi, Toma (Corresponding author); Tripathi, Mukesh; Mustonen, Kimmo; Markevich, Alexander; Mangler, Clemens; Su, Cong; Li, Ju; Idrobo, Juan Carlos; Meyer, Jannik; Kotakoski, Jani.

In: Microscopy and Microanalysis, Vol. 25, No. S2, 01.08.2019, p. 938-939.

Publication: Contribution to journalMeeting abstract/Conference paperpeer-review


Nanoscale Vibrational Spectroscopy of Graphene by Large-q EELS. / Senga, Ryosuke; Suenaga, Kazu; Morishita, Shigeyuki; Barone, Paolo; Mauri, Francesco; Pichler, Thomas.

In: Microscopy and Microanalysis, Vol. 25, No. Suppl. S2, 08.2019, p. 612-613.

Publication: Contribution to journalArticlepeer-review


Scanning transmission electron microscopy under controlled low-pressure atmospheres. / Leuthner, Gregor T.; Hummel, Stefan; Mangler, Clemens; Pennycook, Timothy J.; Susi, Toma; Meyer, Jannik C.; Kotakoski, Jani (Corresponding author).

In: Ultramicroscopy, Vol. 203, 08.2019, p. 76-81.

Publication: Contribution to journalArticlepeer-review


Silicon Substitution in Monolayer Hexagonal Boron Nitride. / Ahmadpour Monazam, Mohammad Reza (Corresponding author); Ludacka, Ursula; Komsa, Hannu-Pekka; Kotakoski, Jani.

In: Microscopy and Microanalysis, Vol. 25, No. S2, 08.2019, p. 2082–2083.

Publication: Contribution to journalMeeting abstract/Conference paperpeer-review


Defect chemistry of Eu dopants in NaI scintillators studied by atomically resolved force microscopy. / Ulreich, Manuel; Boatner, Lynn A.; Sokolovic, Igor; Reticcioli, Michele; Stoeger, Berthold; Poelzleitner, Flora; Franchini, Cesare; Schmid, Michael; Diebold, Ulrike; Setvin, Martin (Corresponding author).

In: Physical Review Materials, Vol. 3, No. 7, 075004, 24.07.2019.

Publication: Contribution to journalArticlepeer-review


Wall- and Hybridisation-Selective Synthesis of Nitrogen-Doped Double-Walled Carbon Nanotubes. / Carini, Marco; Shi, Lei; Chamberlain, Thomas W.; Liu, Meng; Valenti, Giovanni; Melle-Franco, Manuel; Paolucci, Francesco; Khlobystov, Andrei N. (Corresponding author); Pichler, Thomas (Corresponding author); Mateo-Alonso, Aurelio (Corresponding author).

In: Angewandte Chemie (International Edition), Vol. 58, No. 30, 22.07.2019, p. 10276-10280.

Publication: Contribution to journalArticlepeer-review


Field-responsive colloidal assemblies defined by magnetic anisotropy. / Steinbach, Gabi (Corresponding author); Schreiber, Michael; Nissen, Dennis; Albrecht, Manfred; Novak, Ekaterina; Sanchez, Pedro A.; Kantorovich, Sofia S.; Gemming, Sibylle; Erbe, Artur (Corresponding author).

In: Physical Review E, Vol. 100, No. 1, 012608, 18.07.2019.

Publication: Contribution to journalArticlepeer-review


Showing entries 41 - 60 out of 141