Publications 2019


Showing entries 1 - 20 out of 105

Controlled Isotope Arrangement in C-13 Enriched Carbon Nanotubes. / Koltai, J. (Corresponding author); Mezei, G.; Zolyomi, V.; Kurti, J.; Kuzmany, H.; Pichler, T.; Simon, F.

In: The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), Vol. 120, No. 51, 29.12.2016, p. 29520-29524.

Publication: Contribution to journalArticlepeer-review


Room Temperature Dynamic Correlation between Methylammonium Molecules in Lead-Iodine Based Perovskites: an Ab-initio Molecular Dynamics Perspective. / Lahnsteiner, Jonathan; Kresse, Georg; Kumar, Abhinav; Sarma, D. D. ; Franchini, Cesare; Bokdam, Menno.

In: Physical Review B, Vol. 94, 214114 , 28.12.2016.

Publication: Contribution to journalArticlepeer-review


Effect of entropy on the nucleation of cavitation bubbles in water under tension. / Menzl, Georg (Corresponding author); Dellago, Christoph.

In: Journal of Chemical Physics, Vol. 145, No. 21, 211918, 21.12.2016.

Publication: Contribution to journalArticlepeer-review


The behavior of a magnetic filament in flow under the influence of an external magnetic field. / Lüsebrink, Daniel; Cerdà, Joan J.; Sánchez, Pedro A.; Kantorovich, Sofia; Sintes, Tomás.

In: Journal of Chemical Physics, Vol. 145, No. 23, 234902, 21.12.2016.

Publication: Contribution to journalArticlepeer-review


Organic fouling behaviour of structurally and chemically different forward osmosis membranes - A study of cellulose triacetate and thin film composite membranes. / Mazlan, Nur Muna; Marchetti, Patrizia; Maples, H. A.; Gu, Boram; Karan, Santanu; Bismarck, A.; Livingston, Andrew G. (Corresponding author).

In: Journal of Membrane Science, Vol. 520, 15.12.2016, p. 247-261.

Publication: Contribution to journalArticlepeer-review


Semiconducting response in single-walled carbon nanotubes filled with cadmium chloride. / Kharlamova, Marianna V. (Corresponding author); Kramberger, Christian; Pichler, Thomas.

In: Physica Status Solidi. B: Basic Research, Vol. 253, No. 12, 01.12.2016, p. 2433-2439.

Publication: Contribution to journalArticlepeer-review


Environmental control of electron-phonon coupling in barium doped graphene. / Verbitskiy, N. I.; Fedorov, A. V.; Tresca, C.; Profeta, G.; Petaccia, L.; Senkovskiy, B. V.; Usachov, D. Yu; Vyalikh, D. V.; Yashina, L. V.; Eliseev, A. A.; Pichler, T.; Grüneis, A. (Corresponding author).

In: 2D Materials, Vol. 3, No. 4, 045003, 12.2016.

Publication: Contribution to journalArticlepeer-review


Molecular mechanism for cavitation in water under tension. / Menzl, Georg; Gonzalez, Miguel A.; Geiger, Philipp; Caupin, Frederic; Abascal, Jose L. F.; Valeriani, Chantal; Dellago, Christoph (Corresponding author).

In: Proceedings of the National Academy of Sciences of the United States of America (PNAS), Vol. 113, No. 48, 29.11.2016, p. 13582-13587.

Publication: Contribution to journalArticlepeer-review


Strong and Stiff: High-Performance Cellulose Nanocrystal/Poly(vinyl alcohol) Composite Fibers. / Lee, Won Jun; Clancy, Adam J.; Kontturi, Eero; Bismarck, Alexander; Shaffer, Milo S. P. (Corresponding author).

In: ACS Applied Materials and Interfaces, Vol. 8, No. 46, 23.11.2016, p. 31500-31504.

Publication: Contribution to journalArticlepeer-review


Polyyne electronic and vibrational properties under environmental interactions. / Wanko, Marius (Corresponding author); Cahangirov, Seymur; Shi, Lei; Rohringer, Philip; Lapin, Zachary J.; Novotny, Lukas; Ayala, Paola; Pichler, Thomas; Rubio, Angel.

In: Physical Review B, Vol. 94, No. 19, 195422, 14.11.2016.

Publication: Contribution to journalArticlepeer-review


Multiblob coarse-graining for mixtures of long polymers and soft colloids. / Locatelli, Emanuele (Corresponding author); Capone, Barbara; Likos, Christos N.

In: Journal of Chemical Physics, Vol. 145, No. 17, 174901, 07.11.2016.

Publication: Contribution to journalArticlepeer-review


Ductile unidirectional continuous rayon fibre-reinforced hierarchical composites. / Shamsuddin, Siti-Ros; Lee, Koon-Yang; Bismarck, Alexander (Corresponding author).

In: Composites Part A: Applied Science and Manufacturing, Vol. 90, 11.2016, p. 633-641.

Publication: Contribution to journalArticlepeer-review


Constrained random phase approximation and Cubic scaling GW. / Liu, Peitao; Kaltak, Merzuk; Klimes, Jiri; Kresse, Georg.

2016. Poster session presented at What about U? - Effects of Hubbard Interactions and Hund’s Coupling in Solids, Trieste, Italy.

Publication: Contribution to conferencePosterpeer-review


Iron as a source of efficient Shockley-Read-Hall recombination in GaN. / Wickramaratne, Darshana (Corresponding author); Shen, Jimmy-Xuan; Dreyer, Cyrus E.; Engel, Manuel; Marsman, Martijn; Kresse, Georg; Marcinkevicius, Saulius; Alkauskas, Audrius; Van de Walle, Chris G.

In: Applied Physics Letters, Vol. 109, No. 16, 162107, 17.10.2016.

Publication: Contribution to journalArticlepeer-review


Isotope analysis in the transmission electron microscope. / Susi, Toma (Corresponding author); Hofer, Christoph; Argentero, Giacomo; Leuthner, Gregor T.; Pennycook, Timothy J.; Mangler, Clemens; Meyer, Jannik C.; Kotakoski, Jani (Corresponding author).

In: Nature Communications, Vol. 7, 13040, 10.10.2016.

Publication: Contribution to journalArticlepeer-review


Cubic scaling GW : Towards fast quasiparticle calculations. / Liu, Peitao (Corresponding author); Kaltak, Merzuk; Klimes, Jiri; Kresse, Georg.

In: Physical Review B, Vol. 94, No. 16, 165109, 05.10.2016.

Publication: Contribution to journalArticlepeer-review


Avoiding traps in trajectory space : Metadynamics enhanced transition path sampling. / Borrero, E. E.; Dellago, C. (Corresponding author).

In: European Physical Journal. Special Topics, Vol. 225, No. 8-9, 10.2016, p. 1609-1620.

Publication: Contribution to journalArticlepeer-review


High-Performance Hybrid Electronic Devices from Layered PtSe2 Films Grown at Low Temperature. / Yim, Chanyoung; Lee, Kangho; McEvoy, Niall (Corresponding author); O'Brien, Maria; Riazimehr, Sarah; Berner, Nina C.; Cullen, Conor P.; Kotakoski, Jani; Meyer, Jannik C.; Lemme, Max C.; Duesberg, Georg S.

In: ACS Nano, Vol. 10, No. 10, 10.2016, p. 9550-9558.

Publication: Contribution to journalArticlepeer-review


Low-dimensional metal-organic nanostructures. / Shiozawa, Hidetsugu; Domanov, Oleg; Kampmüller, Johannes; Zechner, Georg; Sato, Yuta; Suenaga, Kazu; Saito, Takeshi; Weschke, Eugen; Eisterer, Michael; Lang, Wolfgang; Peterlik, Herwig; Pichler, Thomas.

2016. Poster session presented at 66. Jahrestagung der Österreichischen Physikalischen Gesellschaft (ÖPG 2016) , Wien, Austria.

Publication: Contribution to conferencePosterpeer-review


B-doped SWCNTs as part of a new generation of materials in semiconductor industry. / Reinoso, Carlos; Pichler, Thomas; Ayala, Paola; Rohringer, Philip; Yanagi, Kazuhiro.

2016. Poster session presented at 66. Jahrestagung der Österreichischen Physikalischen Gesellschaft (ÖPG 2016) , Wien, Austria.

Publication: Contribution to conferencePosterpeer-review


Showing entries 1 - 20 out of 105