Publications 2018
Showing entries 21 - 40 out of 133
Jalalian M, Jiang Q, Birot M, Deleuze H, Woodward RT, Bismarck A. Frothed black liquor as a renewable cost effective precursor to low-density lignin and carbon foams. Reactive & Functional Polymers. 2018 Nov;132:145-151. doi: 10.1016/j.reactfunctpolym.2018.07.027
Heeg S, Shi L, Pichler T, Novotny L. Raman resonance profile of an individual confined long linear carbon chain. Carbon. 2018 Nov;139:581-585. doi: 10.1016/j.carbon.2018.07.007
Mai S, Mohamadzade A, Marquetand P, Gonzalez L, Ullrich S. Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil. Molecules. 2018 Nov;23(11):2836. doi: 10.3390/molecules23112836
Grumet M, Liu P, Kaltak M, Klimes J, Kresse G. Beyond the quasiparticle approximation: Fully self-consistent GW calculations. Physical Review B. 2018 Oct 29;98(15):155143. doi: 10.1103/PhysRevB.98.155143
Brand C, Stickler BA, Knobloch C, Shayeghi A, Hornberger K, Arndt M. Conformer Selection by Matter-Wave Interference. Physical Review Letters. 2018 Oct 23;121(17):173002. doi: 10.1103/PhysRevLett.121.173002
Mai S, Gattuso H, Monari A, Gonzalez L. Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems. Frontiers in Chemistry. 2018 Oct 17;6:495. doi: 10.3389/fchem.2018.00495
Qin L, Redermeier A, Dellago C, Kozeschnik E, Karner C. Rigid-lattice Monte Carlo study of nucleation kinetics in dilute bcc Fe-Cu alloys using statistical sampling techniques. Acta Materialia. 2018 Oct 15;159:429-438. doi: 10.1016/j.actamat.2018.08.035
Holzer C, Gui X, Harding ME, Kresse G, Helgaker T, Klopper W. Bethe-Salpeter correlation energies of atoms and molecules. Journal of Chemical Physics. 2018 Oct 14;149(14):144106. doi: 10.1063/1.5047030
DeHaven BA, Goodlett DW, Sindt AJ, Noll N, De Vetta M, Smith MD et al. Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly. Journal of the American Chemical Society. 2018 Oct 10;140(40):13064-13070. doi: 10.1021/jacs.8b08501
Gravogl G, Knoll C, Welch JM, Artner W, Freiberger N, Nilica R et al. Cycle stability and hydration behavior of magnesium oxide and its dependence on the precursor-related particle morphology. Nanomaterials. 2018 Oct 7;8(10):795. doi: 10.3390/nano8100795
Schaefer T, Fan Z, Grünwald M, Kresse G. Ab initio phase diagram of PbSe crystals calculated with the random phase approximation. Physical Review B. 2018 Oct 3;98(14):144103. doi: 10.1103/PhysRevB.98.144103
Hofer C, Kramberger C, Monazam MRA, Mangler C, Mittelberger A, Argentero G et al. Revealing the 3D structure of graphene defects. 2D Materials. 2018 Oct;5(4):045029. doi: 10.1088/2053-1583/aaded7
Schleberger M, Kotakoski J. 2D Material Science: Defect Engineering by Particle Irradiation. Materials - Open Access Journal. 2018 Oct;11(10):1885. doi: 10.3390/ma11101885
Smolyanyuk A, Franchini C, Boeri L. Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure. Physical Review B. 2018 Sep 27;98(11):115158. doi: 10.1103/PhysRevB.98.115158
Murakami R, Kobayashi S, Okazaki M, Bismarck A, Yamamoto M. Effects of Contact Angle and Flocculation of Particles of Oligomer of Tetrafluoroethylene on Oil Foaming. Frontiers in Chemistry. 2018 Sep 24;6:435. doi: 10.3389/fchem.2018.00435
Khmelevskyi S, Kresse G, Mohn P. Correlated excited states in the narrow band gap semiconductor FeSi and antiferromagnetic screening of local spin moments. Physical Review B. 2018 Sep 20;98(12):125205. doi: 10.1103/PhysRevB.98.125205
Riva M, Kubicek M, Hao X, Franceschi G, Gerhold S, Schmid M et al. Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide. Nature Communications. 2018 Sep 13;9(1):3710. doi: 10.1038/s41467-018-05685-5
Heeg S, Shi L, Poulikakos LV, Pichler T, Novotny L. Carbon nanotube chirality determines properties of encapsulated linear carbon chain. Nano Letters. 2018 Sep 12;18(9):5426–5431. Epub 2018 Aug 8. doi: 10.1021/acs.nanolett.8b01681
Javaid A, Ho KKC, Bismarck A, Steinke JHG, Shaffer MSP, Greenhalgh ES. Improving the multifunctional behaviour of structural supercapacitors by incorporating chemically activated carbon fibres and mesoporous silica particles as reinforcement. Journal of Composite Materials. 2018 Sep 1;52(22):3085-3097. doi: 10.1177/0021998318761216
Anthony DB, Sui X, Kellersztein I, De Luca HG, White ER, Wagner HD et al. Continuous carbon nanotube synthesis on charged carbon fibers. Composites Part A: Applied Science and Manufacturing. 2018 Sep;112:525-538. doi: 10.1016/j.compositesa.2018.05.027