Publications 2019


Showing entries 81 - 100 out of 141

Quantifying transmission electron microscopy irradiation effects using two-dimensional materials. / Susi, Toma (Corresponding author); Meyer, Jannik C.; Kotakoski, Jani.

In: Nature Reviews Physics, Vol. 1, No. 6, 14.05.2019, p. 397-405.

Publication: Contribution to journalReviewpeer-review


First-principles study of the melting temperature of MgO. / Rang, Max; Kresse, Georg (Corresponding author).

In: Physical Review B, Vol. 99, No. 18, 184103, 10.05.2019.

Publication: Contribution to journalArticlepeer-review


DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics. / Avagliano, Davide; Sanchez-Murcia, Pedro A. (Corresponding author); Gonzalez, Leticia (Corresponding author).

In: Physical Chemistry Chemical Physics, Vol. 21, No. 17, 07.05.2019, p. 8614-8618.

Publication: Contribution to journalArticlepeer-review


Self-organization of gel networks formed by block copolymer stars. / Garlea, Ioana C. (Corresponding author); Jaramillo-Cano, Diego; Likos, Christos N.

In: Soft Matter, Vol. 15, No. 17, 07.05.2019, p. 3527-3540.

Publication: Contribution to journalArticlepeer-review


A XMS-CASPT2 non-adiabatic dynamics study on pyrrole. / Heindl, Moritz; Gonzalez, Leticia (Corresponding author).

In: Computational and Theoretical Chemistry, Vol. 1155, 01.05.2019, p. 38-46.

Publication: Contribution to journalArticlepeer-review


Agricultural by-product suitability for the production of chitinous composites and nanofibers utilising Trametes versicolor and Polyporus brumalis mycelial growth. / Jones, Mitchell P.; Lawrie, Ann C.; Huynh, Tien T.; Morrison, Paul D.; Mautner, Andreas; Bismarck, Alexander; John, Sabu (Corresponding author).

In: Process biochemistry, Vol. 80, 05.2019, p. 95-102.

Publication: Contribution to journalArticlepeer-review


Biphenyl-Bridged Organosilica as a Precursor for Mesoporous Silicon Oxycarbide and Its Application in Lithium and Sodium Ion Batteries. / Weinberger, Manuel (Corresponding author); Su, Po-Hua; Peterlik, Herwig; Linden, Mika; Wohlfahrt-Mehrens, Margret.

In: Nanomaterials, Vol. 9, No. 5, 754, 05.2019.

Publication: Contribution to journalArticlepeer-review


Parallel Multistream Training of High-Dimensional Neural Network Potentials. / Singraber, Andreas (Corresponding author); Morawietz, Tobias; Behler, Joerg; Dellago, Christoph.

In: Journal of Chemical Theory and Computation, Vol. 15, No. 5, 05.2019, p. 3075-3092.

Publication: Contribution to journalArticlepeer-review


Pitfalls of determining the elastic properties of stabilized zirconia with indentation methods. / Werbach, K. (Corresponding author); Hummel, S.; Ebner, C.; Lohbauer, U.; Peterlik, H.

In: Ceramics International, Vol. 45, No. 7B, 05.2019, p. 9491-9496.

Publication: Contribution to journalArticlepeer-review


Revealing the doping effect of encapsulated lead halogenides on single-walled carbon nanotubes. / Kharlamova, Marianna (Corresponding author); Kramberger, Christian; Rudatis, Paolo; Pichler, Thomas; Eder, Dominik.

In: Applied Physics A: materials science & processing, Vol. 125, No. 5, 320, 05.2019.

Publication: Contribution to journalArticlepeer-review


Screened Exchange Corrections to the Random Phase Approximation from Many-Body Perturbation Theory. / Hummel, Felix (Corresponding author); Grüneis, Andreas; Kresse, Georg; Ziesche, Paul.

In: Journal of Chemical Theory and Computation, Vol. 15, No. 5, 05.2019, p. 3223-3236.

Publication: Contribution to journalArticlepeer-review


Roles of Precursor Conformation and Adatoms in Ullmann Coupling: An Inverted Porphyrin on Cu(111). / Moreno-Lopez, Juan Carlos (Corresponding author); John Mowbray, Duncan; Perez Paz, Alejandro; de Campos Ferreira, Rodrigo Cezar; dos Santos, Alisson Ceccatto; Ayala, Paola; de Siervo, Abner (Corresponding author).

In: Chemistry of Materials, Vol. 31, No. 8, 23.04.2019, p. 3009-3017.

Publication: Contribution to journalArticlepeer-review


Metal-Organic Framework Co-MOF-74-Based Host-Guest Composites for Resistive Gas Sensing. / Strauss, Ina (Corresponding author); Mundstock, Alexander; Treger, Marvin; Lange, Karsten; Hwang, Seungtaik; Chmelik, Christian; Rusch, Pascal; Bigall, Nadja C.; Pichler, Thomas; Shiozawa, Hidetsugu; Caro, Juergen (Corresponding author).

In: ACS Applied Materials and Interfaces, Vol. 11, No. 15, 17.04.2019, p. 14175-14181.

Publication: Contribution to journalArticlepeer-review


Gitteröffnung durch reduktive kovalente Volumen‐Funktionalisierung von schwarzem Phosphor. / Wild, Stefan; Fickert, Michael; Mitrovic, Aleksandra; Lloret, Vicent; Neiss, Christian; Vidal-Moya, José Alejandro; Rivero-Crespo, Miguel Ángel; Leyva-Pérez, Antonio; Werbach, Katharina; Peterlik, Herwig; Grabau, Mathias; Wittkämper, Haiko; Papp, Christian; Steinrück, Hans Peter; Pichler, Thomas; Görling, Andreas; Hauke, Frank; Abellan, Gonzalo (Corresponding author); Hirsch, Andreas (Corresponding author).

In: Angewandte Chemie, Vol. 131, No. 17, 16.04.2019, p. 5820-5826.

Publication: Contribution to journalArticlepeer-review


Hamilton Receptor-Mediated Self-Assembly of Orthogonally Functionalized Au and TiO2 Nanoparticles. / Ali, Muhammad; Hasenoehrl, Dominik H.; Zeininger, Lukas; Muellner, Alexander R. M.; Peterlik, Herwig; Hirsch, Andreas (Corresponding author).

In: Helvetica Chimica Acta, Vol. 102, No. 4, 1900015, 15.04.2019.

Publication: Contribution to journalArticlepeer-review


Mechanically whipped phenolic froths as versatile templates for manufacturing phenolic and carbon foams. / Jalalian, Mohammad; Jiang, Qixiang (Corresponding author); Coulon, Arnaud; Storb, Martin; Woodward, Robert; Bismarck, Alexander (Corresponding author).

In: Materials & Design, Vol. 168, 107658, 15.04.2019.

Publication: Contribution to journalArticlepeer-review


Silicon microcavity arrays with open access and a finesse of half a million. / Wachter, Georg; Kuhn, Stefan (Corresponding author); Minniberger, Stefan; Salter, Cameron; Asenbaum, Peter; Millen, James; Schneider, Michael; Schalko, Johannes; Schmid, Ulrich; Felgner, André; Hüser, Dorothee; Arndt, Markus; Trupke, Michael (Corresponding author).

In: Light: Science & Applications, Vol. 8, 37, 10.04.2019.

Publication: Contribution to journalArticlepeer-review


Finite temperature structure of Hybrid Perovskites from ab-initio and classical MD. / Lahnsteiner, Jonathan; Kresse, Georg; Heinen, Jurn; Bokdam, Menno.

2019. Poster session presented at DPG-Frühjahrstagung 2019, Regensburg, Germany.

Publication: Contribution to conferencePosterpeer-review


Chitin Nanopaper from Mushroom Extract: Natural Composite of Nanofibers and Glucan from a Single Biobased Source. / Nawawi, Wan Mohd Fazli Wan; Lee, Koon-Yang; Kontturi, Eero (Corresponding author); Murphy, Richard J.; Bismarck, Alexander (Corresponding author).

In: ACS Sustainable Chemistry & Engineering, Vol. 7, No. 7, 01.04.2019, p. 6492-6496.

Publication: Contribution to journalArticlepeer-review


Lattice Opening upon Bulk Reductive Covalent Functionalization of Black Phosphorus. / Wild, Stefan; Fickert, Michael; Mitrovic, Aleksandra; Lloret, Vicent; Neiss, Christian; Vidal-Moya, José Alejandro; Rivero-Crespo, Miguel Ángel; Leyva-Pérez, Antonio; Werbach, Katharina; Peterlik, Herwig; Grabau, Mathias; Wittkämper, Haiko; Papp, Christian; Steinrück, Hans Peter; Pichler, Thomas; Görling, Andreas; Hauke, Frank; Abellán, Gonzalo (Corresponding author); Hirsch, Andreas (Corresponding author).

In: Angewandte Chemie - International Edition, Vol. 58, No. 17, 04.2019, p. 5763-5768.

Publication: Contribution to journalArticlepeer-review


Showing entries 81 - 100 out of 141