Publications

The importance of finite temperature and vibrational sampling in the absorption spectrum of a nitro-functionalized Ru(ii) water oxidation catalyst. / Wernbacher, Anna M. (Corresponding author); Gonzalez, Leticia.
In: Physical Chemistry Chemical Physics, Vol. 23, No. 32, 08.2021, p. 17724-17733.

Publications: Contribution to journal › Article › Peer Reviewed

Temperature-dependent displacement cross section of graphene and its impurities: measuring the carbon adatom migration barrier. / Postl, Andreas (Corresponding author); Madsen, Jacob; Hilgert, Pit Pascal Patrick (Contributor) et al.
In: Microscopy and Microanalysis, Vol. 27, No. S1, 30.07.2021, p. 3340.

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

Anti-Stokes Raman Scattering of Single Carbyne Chains. / Tschannen, Cla Duri (Corresponding author); Frimmer, Martin; Gordeev, Georgy et al.
In: ACS Nano, Vol. 15, No. 7, 27.07.2021, p. 12249-12255.

Publications: Contribution to journal › Article › Peer Reviewed

Effect of softness on glass melting and re-entrant solidification in mixtures of soft and hard colloids. / Parisi, Daniele; Camargo, Manuel (Corresponding author); Makri, Kalliopi et al.
In: Journal of Chemical Physics, Vol. 155, No. 3, 034901, 21.07.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Grow it yourself composites: delignification and hybridisation of lignocellulosic material using animals and fungi. / Weiland, Kathrin; Jones, Mitchell P.; Zinsser, Felix et al.
In: Green Chemistry, Vol. 23, No. 19, 21.07.2021, p. 7506-7514.

Publications: Contribution to journal › Article › Peer Reviewed

Nanoscale synthesis of ionic analogues of bilayer silicene with high carrier mobility. / Averyanov, Dmitry V.; Liu, Peitao; Sokolov, Ivan S. et al.
In: Journal of Materials Chemistry C, Vol. 9, No. 27, 21.07.2021, p. 8545-8551 .

Publications: Contribution to journal › Article › Peer Reviewed

Optical and excitonic properties of transition metal oxide perovskites by the Bethe-Salpeter equation. / Varrassi, Lorenzo (Corresponding author); Liu, Peitao; Ergönenc Yavas, Zeynep et al.
In: Physical Review Materials, Vol. 5, No. 7, 074601, 09.07.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Morphology and properties of foamed high crystallinity PEEK prepared by high temperature thermally induced phase separation. / Rusakov, Dmitrii; Menner, Angelika; Spieckermann, Florian et al.
In: Journal of Applied Polymer Science, Vol. 139, No. 1, 51423, 07.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Polarons in materials. / Franchini, Cesare (Corresponding author); Reticcioli, Michele; Setvín, Martin et al.
In: Nature Reviews Materials, Vol. 6, No. 7, 07.2021, p. 560–586.

Publications: Contribution to journal › Review › Peer Reviewed

Otto Stern’s Legacy in Quantum Optics: Matter Waves and Deflectometry. / Gerlich, Stefan ; Fein, Yaakov Y.; Shayeghi, Armin et al.
Molecular Beams in Physics and Chemistry: From Otto Stern's Pioneering Exploits to Present-Day Feats. ed. / Bretislav Friedrich; Horst Schmidt-Böcking. Vol. 1 Springer, 2021. p. 547-573.

Publications: Contribution to book › Chapter › Peer Reviewed

Atomic-Level Structural Engineering of Graphene on a Mesoscopic Scale. / Trentino, Alberto (Corresponding author); Madsen, Jacob; Mittelberger, Andreas et al.
In: Nano Letters, Vol. 21, No. 12, 23.06.2021, p. 5179-5185.

Publications: Contribution to journal › Article › Peer Reviewed

Electronic State Unfolding for Plane Waves: Energy Bands, Fermi Surfaces, and Spectral Functions. / Dirnberger, David; Kresse, Georg ; Franchini, Cesare et al.
In: Journal of Physical Chemistry C, Vol. 125, No. 23, 17.06.2021, p. 12921–12928.

Publications: Contribution to journal › Article › Peer Reviewed

Atomic and electronic structure of graphene. / Kotakoski, Jani.
Graphene: Properties, Preparation, Characterisation and Applications. ed. / Viera Skakalova; Alan B. Kaiser. 2. ed. Elsevier, 2021. p. 15-26 (Woodhead Publishing Series in Electronic and Optical Materials).

Publications: Contribution to book › Chapter › Peer Reviewed

Influence of DVB as linker molecule on the micropore formation in polymer-derived SiCN ceramics. / Drechsel, C.; Peterlik, H.; Gierl-Mayer, C. et al.
In: Journal of the European Ceramic Society, Vol. 41, No. 6, 06.2021, p. 3292-3302.

Publications: Contribution to journal › Article › Peer Reviewed

Kapitza-Dirac Blockade: A Universal Tool for the Deterministic Preparation of Non-Gaussian Oscillator States. / Huang, Wayne Cheng-Wei (Corresponding author); Batelaan, Herman; Arndt, Markus.
In: Physical Review Letters, Vol. 126, No. 25, 253601, 06.2021.

Publications: Contribution to journal › Article › Peer Reviewed

The Role of Triplet States in the Photodissociation of a Platinum Azide Complex by a Density Matrix Renormalization Group Method. / Freitag, Leon (Corresponding author); Gonzalez, Leticia.
In: Journal of Physical Chemistry Letters, Vol. 12, No. 20, 27.05.2021, p. 4876-4881.

Publications: Contribution to journal › Article › Peer Reviewed

α−β phase transition of zirconium predicted by on-the-fly machine-learned force field. / Liu, Peitao (Corresponding author); Verdi, Carla; Karsai, Ferenc et al.
In: Physical Review Materials, Vol. 5, No. 5, 053804, 24.05.2021.

Publications: Contribution to journal › Article › Peer Reviewed

Influence of biological origin on the tensile properties of cellulose nanopapers. / Kontturi, Katri S.; Lee, Koon-Yang; Jones, Mitchell P. et al.
In: Cellulose, Vol. 28, No. 10, 22.05.2021, p. 6619–6628.

Publications: Contribution to journal › Article › Peer Reviewed

Grafting density induced reentrant disorder-order-disorder transition in planar di-block copolymer brushes. / Capone, Barbara (Corresponding author); Likos, Christos N.; Coluzza, Ivan.
In: Soft Matter, Vol. 17, No. 18, 14.05.2021, p. 4719-4729.

Publications: Contribution to journal › Article › Peer Reviewed

Multiscale Approaches for Confined Ring Polymer Solutions. / Chubak, Iurii (Corresponding author); Likos, Christos N. (Corresponding author); Egorov, Sergei A. (Corresponding author).
In: Journal of Physical Chemistry B, Vol. 125, No. 18, 13.05.2021, p. 4910–4923.

Publications: Contribution to journal › Article › Peer Reviewed