2011 - Competence Center Engineering of Advanced Materials (FAU EAM)

List of EAM publications 2011

Amin AY., Reuter K., Meyer-Friedrichsen T., Halik M.:
Interface Engineering in High-Performance Low-Voltage Organic Thin-Film Transistors Based on 2,7-Dialkyl-[1]benzothieno[3,2-b][1]benzothiophenes
In: Langmuir 27 (2011), p. 15340-15344
ISSN: 0743-7463
DOI: 10.1021/la203041x
URL: http://pubs.acs.org/doi/full/10.1021/la203041x?prevSearch=%255BAllField%253A%2B%255BAllField%253A%2Bhalik%255D%255D&searchHistoryKey=
Anwar J., Zahn D.:
Atomistisches Verständnis der Keimbildung und des Kristallwachstums durch molekulare Simulationen
In: Angewandte Chemie 123 (2011), p. 2042-2061
ISSN: 0044-8249
DOI: 10.1002/ange.201000463
Anwar J., Zahn D.:
Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation
In: Angewandte Chemie International Edition 50 (2011), p. 1996-2013
ISSN: 1433-7851
DOI: 10.1002/anie.201000463
Backes C., Bosch S., Mundloch U., Hauke F., Hirsch A., Hauke F.:
Density gradient ultracentrifugation on carbon nanotubes according to structural integrity as a foundation for an absolute purity evaluation
In: ChemPhysChem 12 (2011), p. 2576-2580
ISSN: 1439-4235
DOI: 10.1002/cphc.201100258
Backes C., Hauke F., Hirsch A.:
The potential of perylene bisimide derivatives for the solubilization of carbon nanotubes and graphene
In: Advanced Materials 23 (2011), p. 2588-2601
ISSN: 0935-9648
DOI: 10.1002/adma.201100300
Backes C., Schmidt C., Hauke F., Hirsch A.:
Perylene-based nanotweezers: Enrichment of larger-diameter single-walled carbon nanotubes
In: Chemistry-An Asian Journal 6 (2011), p. 438-444
ISSN: 1861-4728
DOI: 10.1002/asia.201000647
Backes C., Schunk T., Hauke F., Hirsch A.:
Counterion effect on the aggregation of anionic perylene dyes and the influence on carbon nanotube dispersion efficiencies
In: Journal of Materials Chemistry 21 (2011), p. 3554-3557
ISSN: 0959-9428
DOI: 10.1039/c0jm02505d
Bandlow J., Kaghazchi P., Jacob T., Papp C., Tränkenschuh B., Streber R., Lorenz MPA., Fuhrmann T., Denecke R., Steinrück HP.:
Oxidation of stepped Pt(111) studied by x-ray photoelectron spectroscopy and density functional theory
In: Physical Review B 83 (2011), Article No.: 174107
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.83.174107
Bannerman M., Kollmer J., Sack A., Heckel M., Müller P., Pöschel T.:
Movers and shakers: Granular damping in microgravity
In: Physical Review E 84 (2011), Article No.: 011301
ISSN: 1539-3755
DOI: 10.1103/PhysRevE.84.011301
Bannerman M., Lue L., Sargant R.:
DynamO: A free O(N) general event-driven molecular dynamics simulator
In: Journal of Computational Chemistry 32 (2011), p. 3329-3338
ISSN: 0192-8651
DOI: 10.1002/jcc.21915
Bao H., Peukert W., Klupp Taylor R.:
One-pot colloidal synthesis of plasmonic patchy particles
In: Advanced Materials 23 (2011), p. 2644-2649
ISSN: 0935-9648
DOI: 10.1002/adma.201100698
Barg S., Soltmann C., Schwab A., Koch D., Schwieger W., Grathwohl G.:
Novel open cell aluminum foams and their use as reactive support for zeolite crystallization
In: Journal of Porous Materials 18 (2011), p. 89-98
ISSN: 1380-2224
DOI: 10.1007/s10934-010-9359-3
Bartl P., Michel T., Nachtrab F., Uhlmann N., Anton G.:
Evaluation of X-ray phase-contrast imaging with the Medipix
In: Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 633 (2011), p. S143-S147
ISSN: 0168-9002
DOI: 10.1016/j.nima.2010.06.150
Baumann SO., Elser MJ., Auer M., Bernardi J., Huesing N., Diwald O.:
Solid-Solid Interface Formation in TiO2 Nanoparticle Networks
In: Langmuir 27 (2011), p. 1946-1953
ISSN: 0743-7463
DOI: 10.1021/la104213d
Beierlein F., Kneale GG., Clark T.:
Predicting the Effects of Basepair Mutations in DNA-Protein Complexes by Thermodynamic Integration
In: Biophysical Journal 101 (2011), p. 1130--1138
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2011.07.003
Beierlein F., Michel J., Essex J.:
A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations
In: Journal of Physical Chemistry B 115 (2011), p. 4911-4926
ISSN: 1520-6106
DOI: 10.1021/jp109054j
Berger M., Assenbaum D., Taccardi N., Spiecker E., Wasserscheid P.:
Simple and recyclable ionic liquid based system for the selective decomposition of formic acid to hydrogen and carbon dioxide
In: Green Chemistry 13 (2011), p. 1411
ISSN: 1463-9262
DOI: 10.1039/C0GC00829J
Bestmann M., Pennacchioni G., Frank G., Göken M., de Wall H.:
Pseudotachylyte in muscovite-bearing quartzite: Coseismic friction-induced melting and plastic deformation of quartz
In: Journal of Structural Geology 33 (2011), p. 169-186
ISSN: 0191-8141
DOI: 10.1016/j.jsg.2010.10.009
Betzinger M., Friedrich C., Bluegel S., Görling A.:
Local exact exchange potentials within the all-electron FLAPW method and a comparison with pseudopotential results
In: Physical Review B 83 (2011), Article No.: 045105
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.83.045105
Birajdar B., Antesberger T., Stutzmann M., Spiecker E.:
Epitaxial upward transport of Al at the beginning of the Al-induced layer exchange process
In: Physica Status Solidi-Rapid Research Letters 5 (2011), p. 172-174
ISSN: 1862-6254
DOI: 10.1002/pssr.201105110
Boehner A., Maier V., Durst K., Höppel HW., Göken M.:
Macro- and nanomechanical properties and strain rate sensitivity of accumulative roll bonded and equal channel angular pressed ultrafine-grained materials
In: Advanced Engineering Materials 13 (2011), p. 251-255
ISSN: 1438-1656
DOI: 10.1002/adem.201000270
Brabec C., Heeney M., Mcculloch I., Nelson J.:
Influence of blend microstructure on bulk heterojunction organic photovoltaic performance
In: Chemical Society Reviews 40 (2011), p. 1185-1199
ISSN: 0306-0012
DOI: 10.1039/c0cs00045k
Bruix A., Migani A., Vayssilov GN., Neyman KM., Libuda J., Illas F.:
Effects of deposited Pt particles on the reducibility of CeO2(111)
In: Physical Chemistry Chemical Physics 13 (2011), p. 11384-11392
ISSN: 1463-9076
DOI: 10.1039/c1cp20950g
Buchner F., Xiao J., Zillner E., Chen M., Röckert M., Ditze S., Stark MW., Steinrück HP., Gottfried M., Marbach H.:
Diffusion, rotation, and surface chemical bond of individual 2 H-tetraphenylporphyrin molecules on Cu(111)
In: Journal of Physical Chemistry C 115 (2011), p. 24172-24177
ISSN: 1932-7447
DOI: 10.1021/jp206675u
Buchner F., Zillner E., Röckert M., Gläßel S., Steinrück HP., Marbach H.:
Substrate-mediated phase separation of two porphyrin derivatives on Cu(111)
In: Chemistry - A European Journal 17 (2011), p. 10226-10229
ISSN: 0947-6539
DOI: 10.1002/chem.201100462
Cremer T., Stark MW., Deyko A., Steinrück HP., Maier F.:
Liquid/solid interface of ultrathin ionic liquid films: [C 1C1Im][Tf2N] and [C8C 1Im][Tf2N] on Au(111)
In: Langmuir 27 (2011), p. 3662-3671
ISSN: 0743-7463
DOI: 10.1021/la105007c
Cubillas AM., Schmidt M., Scharrer M., Euser TG., Etzold B., Taccardi N., Wasserscheid P., Russell PSJ.:
Monitoring of catalytic reactions in photonic crystal fiber
2011 Conference on Lasers and Electro-Optics Europe and 12th European Quantum Electronics Conference, CLEO EUROPE/EQEC 2011 (DEU, 22. May 2011 - 26. May 2011)
In: 2011 Conference on Lasers and Electro-Optics Europe and 12th European Quantum Electronics Conference, CLEO EUROPE/EQEC 2011 2011
DOI: 10.1109/CLEOE.2011.5943061
Da N., Grassmé O., Nielsen KH., Peters G., Wondraczek L.:
Formation and structure of ionic (Na, Zn) sulfophosphate glasses
In: Journal of Non-Crystalline Solids 357 (2011), p. 2202-2206
ISSN: 0022-3093
DOI: 10.1016/j.jnoncrysol.2011.02.037
Damm C., Segets D., Yang G., Vieweg B., Spiecker E., Peukert W.:
Shape Transformation Mechanism of Silver Nanorods in Aqueous Solution
In: Small 7 (2011), p. 147--156
ISSN: 1613-6829
DOI: 10.1002/smll.201001600
Das C., Paramasivam I., Liu N., Schmuki P.:
Photoelectrochemical and photocatalytic activity of tungsten doped TiO2 nanotube layers in the near visible region
In: Electrochimica Acta 56 (2011), p. 10557-10561
ISSN: 0013-4686
DOI: 10.1016/j.electacta.2011.05.061
De Miguel Rojas G., Wielopolski M., Schuster DI., Fazio MA., Lee OP., Haley CK., Ortiz AL., Echegoyen L., Clark T., Guldi DM.:
Triazole bridges as versatile linkers in electron donor-acceptor conjugates
In: Journal of the American Chemical Society 133 (2011), p. 13036-13054
ISSN: 0002-7863
DOI: 10.1021/ja202485s
Diez Robles L., Rauh C., Delgado A.:
Improvement of three-phase flow numerical simulations by means of novel hybrid methods
In: Advanced Powder Technology 22 (2011), p. 277-283
ISSN: 0921-8831
DOI: 10.1016/j.apt.2011.02.007
URL: http://www.sciencedirect.com/science/article/pii/S0921883111000252
Ding B., Bardosova M., Pemble ME., Korovin AV., Peschel U., Romanov SG.:
Broadband Omnidirectional Diversion of Light in Hybrid Plasmonic-Photonic Heterocrystals
In: Advanced Functional Materials 21 (2011), p. 4182-4192
ISSN: 1616-301X
DOI: 10.1002/adfm.201100695
Ding B., Pemble ME., Korovin AV., Peschel U., Romanov S.:
Gold film-terminated 3-dimensional photonic crystals
In: Applied Physics A-Materials Science & Processing 103 (2011), p. 889-894
ISSN: 0947-8396
DOI: 10.1007/s00339-011-6251-1
Donath S., Mecke K., Rabha S., Buwa V., Rüde U.:
Verification of Surface Tension in the Parallel Free Surface Lattice Boltzmann Method in waLBerla
In: Computers & Fluids 45 (2011), p. 177-186
ISSN: 0045-7930
DOI: 10.1016/j.compfluid.2010.12.027
URL: http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6V26-51V5GHJ-2-1&_cdi=5694&_user=616145&_pii=S004579301000383X&_origin=gateway&_coverDate=12/31/2010&_sk=999999999&view=c&wchp=dGLzVzz-zSkWA&md5=2208e2e90a4976d6ecc5992b0ad1e467&ie=/sdarticle.pdf
Dral P., Shubina T., Hirsch A., Clark T.:
Influence of Electron Doping on the Hydrogenation of Fullerene C60: A Theoretical Investigation
In: ChemPhysChem 12 (2011), p. 2581-2589
ISSN: 1439-4235
DOI: 10.1002/cphc.201100529
Dral PO., Clark T.:
Semiempirical UNO–CAS and UNO–CI: Method and Applications in Nanoelectronics
In: Journal of Physical Chemistry A 115 (2011), p. 11303--11312
ISSN: 1520-5215
DOI: 10.1021/jp204939x
Duchstein P., Zahn D.:
Atomistic modeling of apatite-collagen composites from molecular dynamics simulations extended to hyperspace
In: Journal of Molecular Modeling 17 (2011), p. 73-79
ISSN: 1610-2940
DOI: 10.1007/s00894-010-0707-7
Englert J., Dotzer C., Yang G., Schmid M., Papp C., Gottfried M., Steinrück HP., Spiecker E., Hauke F., Hirsch A., Hauke F., Spiecker E.:
Covalent bulk functionalization of graphene
In: Nature Chemistry 3 (2011), p. 279-286
ISSN: 1755-4330
DOI: 10.1038/nchem.1010
Erlbacher T., Yanev VC., Rommel M., Bauer A., Frey L.:
Gate oxide reliability at the nanoscale evaluated by combining conductive atomic force microscopy and constant voltage stress
In: Journal of Vacuum Science & Technology B: Microelectronics Processing and Phenomena 29 (2011), p. 01AB08
ISSN: 0734-211X
DOI: 10.1116/1.3532820
Faber H., Klaumünzer M., Voigt M., Galli D., Vieweg B., Peukert W., Spiecker E., Halik M.:
Morphological impact of zinc oxide layers on the device performance in thin-film transistors
In: Nanoscale 3 (2011), p. 897-899
ISSN: 2040-3364
DOI: 10.1039/C0NR00800A
URL: http://pubs.rsc.org/en/Content/ArticleLanding/2011/NR/c0nr00800a#!divAbstract
Feichtinger C., Donath S., Köstler H., Götz J., Rüde U.:
WaLBerla: HPC software design for computational engineering simulations
In: Journal of Computational Science 2 (2011), p. 105-112
ISSN: 1877-7503
DOI: 10.1016/j.jocs.2011.01.004
URL: http://www.sciencedirect.com/science/article/pii/S1877750311000111
Feichtinger C., Köstler H., Hager G., Rüde U., Wellein G., Habich J.:
A flexible Patch-based lattice Boltzmann parallelization approach for heterogeneous GPU-CPU clusters
In: Parallel Computing 37 (2011), p. 536-549
ISSN: 0167-8191
DOI: 10.1016/j.parco.2011.03.005
URL: http://www.sciencedirect.com/science/article/pii/S0167819111000342
Fenz SF., Bihr T., Merkel R., Seifert U., Sengupta K., Smith AS.:
Switching from Ultraweak to Strong Adhesion
In: Advanced Materials 23 (2011), p. 2622-+
ISSN: 0935-9648
DOI: 10.1002/adma.201004097
URL: http://onlinelibrary.wiley.com/doi/10.1002/adma.201004097/abstract;jsessionid=6B85BC791922F8CF69C5D4180825ECE0.f02t02
Fenz SF., Smith AS., Merkel R., Sengupta K.:
Inter-membrane adhesion mediated by mobile linkers: Effect of receptor shortage
In: Soft Matter 7 (2011), p. 952-962
ISSN: 1744-683X
DOI: 10.1039/c0sm00550a
URL: http://pubs.rsc.org/en/Content/ArticleLanding/2011/SM/c0sm00550a#!divAbstract
Fet A., Haeublein V., Bauer AJ., Ryssel H., Frey L.:
Fluorine implantation for effective work function control in p-type metal-oxide-semiconductor high-k metal gate stacks
In: Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics 29 (2011)
ISSN: 2166-2754
DOI: 10.1116/1.3521471
Firsching M., Nachtrab F., Uhlmann N., Hanke R.:
Multi-Energy X-ray Imaging as a Quantitative Method for Materials Characterization
In: Advanced Materials 23 (2011), p. 2655-2656
ISSN: 0935-9648
DOI: 10.1002/adma.201004111
Franke O., Göken M., Meyers MA., Durst K., Hodge AM.:
Dynamic nanoindentation of articular porcine cartilage
In: Materials Science and Engineering C 31 (2011), p. 789-795
ISSN: 0928-4931
DOI: 10.1016/j.msec.2010.12.005
Gallas J., Bragard J., Suarez OJ., Laroze D., Pleiner H., Vargaz P.:
Chaotic dynamics of a magnetic nanoparticle
In: Physical Review E 84 (2011), p. 037202
ISSN: 1063-651X
DOI: 10.1103/PhysRevE.84.037202
Gallas J., Vitolo R., Glendinning P.:
Global structure of periodicity hubs in Lyapunov phase diagrams of dissipative flows
In: Physical Review E 84 (2011), p. 016216
ISSN: 1063-651X
DOI: 10.1103/PhysRevE.84.016216
Gao G., Meszaros R., Peng M., Wondraczek L.:
Broadband UV-to-green photoconversion in V-doped lithium zinc silicate glasses and glass ceramics
In: Optics Express 19 (2011), Article No.: A312
ISSN: 1094-4087
DOI: 10.1364/OE.19.00A312
Gao G., Reibstein S., Peng M., Wondraczek L.:
Dual-mode photoluminescence from Mn2+-doped Li,Zn aluminosilicate glass ceramics
In: Physics and Chemistry of Glasses-European Journal of Glass Science and Technology Part B 52 (2011), p. 59-63
ISSN: 1753-3562
URL: http://www.ingentaconnect.com/content/sgt/ejgst/2011/00000052/00000002/art00004
Gao G., Reibstein S., Peng M., Wondraczek L.:
Tunable dual-mode photoluminescence from nanocrystalline Eu-doped Li2ZnSiO4 glass ceramic phosphors
In: Journal of Materials Chemistry 21 (2011), Article No.: 3156
ISSN: 0959-9428
DOI: 10.1039/c0jm03273e
Garbos MK., Euser TG., Russell PSJ.:
Optofluidic immobility of particles trapped in liquid-filled hollow-core photonic crystal fiber
In: Optics Express 19 (2011), p. 19643-19652
ISSN: 1094-4087
DOI: 10.1364/OE.19.019643
Garbos MK., Euser TG., Schmidt OA., Unterkofler S., Russell PSJ.:
Doppler velocimetry on microparticles trapped and propelled by laser light in liquid-filled photonic crystal fiber
In: Optics Letters 36 (2011), p. 2020-2022
ISSN: 0146-9592
DOI: 10.1364/OL.36.002020
Gebhardt B., Hof F., Backes C., Müller M., Plocke T., Maultzsch J., Thomsen C., Hauke F., Hirsch A.:
Selective polycarboxylation of semiconducting single-walled carbon nanotubes by reductive sidewall functionalization
In: Journal of the American Chemical Society 133 (2011), p. 19459-19473
ISSN: 0002-7863
DOI: 10.1021/ja206818n
Gebhardt B., Syrgiannis Z., Backes C., Graupner R., Hirsch A., Hauke F.:
Carbon nanotube sidewall functionalization with carbonyl compounds-modified birch conditions vs the organometallic reduction approach
In: Journal of the American Chemical Society 133 (2011), p. 7985-7995
ISSN: 0002-7863
DOI: 10.1021/ja2016872
Gevorgyan SA., Medford AJ., Bundgaard E., Sapkota SB., Schleiermacher HF., Zimmermann B., Wuerfel U., Chafiq A., Lira-Cantu M., Swonke T., Wagner M., Haillant OO., Voroshazi E., Aernouts T., Steim R., Hauch JA., Elschner A., Pannone M., Xiao M., Langzettel A., Laird D., Lloyd MT., Rath T., Maier E., Trimmel G., Hermenau M., Menke T., Leo K., Roesch R., Seeland M., Hoppe H., Nagle TJ., Burke KB., Fell CJ., Vak D., Singh TB., Watkins SE., Galagan Y., Manor A., Katz EA., Kim T., Kim K., Sommeling PM., Verhees WJH., Veenstra SC., Riede M., Christoforo MG., Currier T., Shrotriya V., Schwartz G., Krebs FC., Brabec C.:
An inter-laboratory stability study of roll-to-roll coated flexible polymer solar modules
In: Solar Energy Materials and Solar Cells 95 (2011), p. 1398-1416
ISSN: 0927-0248
DOI: 10.1016/j.solmat.2011.01.010
Grimm F., Ulm N., Gröhn F., Düring J., Hirsch A.:
Self-assembly of supramolecular architectures and polymers by orthogonal metal complexation and hydrogen-bonding motifs
In: Chemistry - A European Journal 17 (2011), p. 9478-9488
ISSN: 0947-6539
DOI: 10.1002/chem.201100171
Gröschel M., Leugering G., Peukert W.:
Model Reduction, Structure-property Relations and Optimization Techniques for the Production of Nanoscale Particles
In: International Series of Numerical Mathematics (2011), p. 541-559
ISSN: 0373-3149
DOI: 10.1007/978-3-0348-0133-1_28
URL: http://link.springer.com/chapter/10.1007%2F978-3-0348-0133-1_28
Göken M., Höppel HW.:
Tailoring nanostructured, graded, and particle-reinforced Al laminates by accumulative roll bonding
In: Advanced Materials 23 (2011), p. 2663-2668
ISSN: 0935-9648
DOI: 10.1002/adma.201100407
Halik M., Hirsch A.:
The potential of molecular self-assembled monolayers in organic electronic devices
In: Advanced Materials 23 (2011), p. 2689-2695
ISSN: 0935-9648
DOI: 10.1002/adma.201100337
URL: http://onlinelibrary.wiley.com/doi/10.1002/adma.201100337/full
Happel M., Luckas N., Vines Solana F., Sobota M., Laurin M., Görling A., Libuda J.:
SO2 adsorption on Pt(111) and oxygen precovered Pt(111): A combined infrared reflection absorption spectroscopy and density functional study
In: Journal of Physical Chemistry C 115 (2011), p. 479-491
ISSN: 1932-7447
DOI: 10.1021/jp107171t
Happel M., Lykhach Y., Tsud N., Skala T., Prince KC., Matolin V., Libuda J.:
Mechanism of Sulfur Poisoning and Storage: Adsorption and Reaction of SO2 with Stoichiometric and Reduced Ceria Films on Cu(111)
In: Journal of Physical Chemistry C 115 (2011), p. 19872-19882
ISSN: 1932-7447
DOI: 10.1021/jp207014z
Haumann M., Jakuttis M., Franke R., Schönweiz A., Wasserscheid P.:
Continuous Gas-Phase Hydroformylation of a Highly Diluted Technical C4 Feed using Supported Ionic Liquid Phase Catalysts
In: ChemCatChem 3 (2011), p. 1822--1827
ISSN: 1867-3880
DOI: 10.1002/cctc.201100117
Hausöl T., Höppel HW., Göken M.:
Microstructure and mechanical properties of accumulative roll bonded AA6014/AA5754 aluminium laminates
In: Materials Science Forum 667-669 (2011), p. 217-222
ISSN: 0255-5476
DOI: 10.4028/www.scientific.net/MSF.667-669.217
Hebert KR., Albu S., Paramasivam I., Schmuki P.:
Morphological instability leading to formation of porous anodic oxide films
In: Nature Materials 11 (2011), p. 162-166
ISSN: 1476-1122
DOI: 10.1038/nmat3185
Hens P., Mueller J., Fahlbusch L., Spiecker E., Wellmann P., Spiecker E.:
Generation of void-like structures during hot-hydrogen etching of Si substrates for 3C-SiC epitaxy
In: Materials Science Forum 679-680 (2011), p. 127-130
ISSN: 0255-5476
DOI: 10.4028/www.scientific.net/MSF.679-680.127
Hertel S., Kißlinger F., Jobst J., Waldmann D., Krieger M., Weber HB.:
Current annealing and electrical breakdown of epitaxial graphene
In: Applied Physics Letters 98 (2011), p. 212109
ISSN: 0003-6951
DOI: 10.1063/1.3592841
Heßelmann A.:
Third-order corrections to random-phase approximation correlation energies
In: Journal of Chemical Physics 134 (2011), Article No.: 204107
ISSN: 0021-9606
DOI: 10.1063/1.3590916
Heßelmann A., Görling A.:
Correct description of the bond dissociation limit without breaking spin symmetry by a random-phase-approximation correlation functional
In: Physical Review Letters 106 (2011), Article No.: 093001
ISSN: 0031-9007
DOI: 10.1103/PhysRevLett.106.093001
Heßelmann A., Görling A.:
Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock
In: Journal of Chemical Physics 134 (2011), Article No.: 034120
ISSN: 0021-9606
DOI: 10.1063/1.3517312
Heßelmann A., Görling A.:
Random-phase approximation correlation methods for molecules and solids
In: Molecular Physics 109 (2011), p. 2473-2500
ISSN: 0026-8976
DOI: 10.1080/00268976.2011.614282
Heßelmann A., Korona T.:
On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT + Disp methods for the interaction energies of endohedral complexes of the C60 fullerene with a rare gas atom
In: Physical Chemistry Chemical Physics 13 (2011), p. 732-743
ISSN: 1463-9076
DOI: 10.1039/C0CP00968G
Hieringer W., Flechtner K., Kretschmann A., Seufert K., Auswärter W., Barth JV., Görling A., Steinrück HP., Gottfried M.:
The surface trans effect: Influence of axial ligands on the surface chemical bonds of adsorbed metalloporphyrins
In: Journal of the American Chemical Society 133 (2011), p. 6206-6222
ISSN: 0002-7863
DOI: 10.1021/ja1093502
Hochrein O., Zahn D.:
On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water
In: Journal of Molecular Modeling 17 (2011), p. 1525-1528
ISSN: 1610-2940
DOI: 10.1007/s00894-010-0855-9
Hoeflich K., Yang RB., Berger A., Leuchs G., Christiansen S.:
The Direct Writing of Plasmonic Gold Nanostructures by Electron-Beam-Induced Deposition
In: Advanced Materials 23 (2011), p. 2657-2661
ISSN: 0935-9648
DOI: 10.1002/adma.201004114
Hoyer U., Pinna L., Swonke T., Auer R., Brabec C., Stubhan T., Li N.:
Comparison of electroluminescence intensity and photocurrent of polymer based solar cells
In: Advanced Energy Materials 1 (2011), p. 1097-1100
ISSN: 1614-6832
DOI: 10.1002/aenm.201100496
Huang MM., Schneiders K., Schulz P., Wasserscheid P., Weingaertner H.:
Ion speciation driving chirality transfer in imidazolium-based camphorsulfonate ionic liquid solutions
In: Physical Chemistry Chemical Physics 13 (2011), p. 4126--4131
ISSN: 1463-9076
DOI: 10.1039/C0CP01120G
Härtle R., Butzin M., Rubio-Pons O., Thoss M.:
Quantum Interference and Decoherence in Single-Molecule Junctions: How Vibrations Induce Electrical Current
In: Physical Review Letters 107 (2011), p. 046802
ISSN: 0031-9007
DOI: 10.1103/PhysRevLett.107.046802
URL: http://prl.aps.org/abstract/PRL/v107/i4/e046802
Härtle R., Thoss M.:
Resonant electron transport in single-molecule junctions: Vibrational excitation, rectification, negative differential resistance, and local cooling
In: Physical Review B 83 (2011), p. 115414
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.83.115414
URL: http://prb.aps.org/abstract/PRB/v83/i11/e115414
Härtle R., Thoss M.:
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Jakuttis M., Schönweiz A., Werner S., Franke R., Wiese KD., Haumann M., Wasserscheid P.:
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Fast formation of aligned high-aspect ratio TiO2 nanotube bundles that lead to increased open circuit voltage when used in dye sensitized solar cells
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Jiang X., Euser TG., Abdolvand A., Babic F., Tani F., Joly N., Travers JC., Russell PSJ.:
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Kim T., Celik FE., Hanna DG., Shylesh S., Werner S., Bell AT.:
Gas-Phase Hydroformylation of Propene over Silica-Supported PPh3-Modified Rhodium Catalysts
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Painting by numbers: Nanoparticle-based colorants in the post-empirical age
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Experiments and simulation of the diffusion and activation of the n-type dopants P, As, and Sb implanted into germanium
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Optimal L1-Control in Coefficients for Dirichlet Elliptic Problems: W-Optimal Solutions
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Kohler F., Morain B., Weiß A., Laurin M., Libuda J., Wagner V., Melcher BU., Wang X., Meyer K., Wasserscheid P.:
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Solution-Processed Metallic Nanowire Electrodes as Indium Tin Oxide Replacement for Thin-Film Solar Cells
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Photoluminescence and energy transfer in Tb3+/Mn2+ co-doped ZnAl2O4 glass ceramics
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Leugering G., Novotny AA., Menzala GP., Sokolowski J.:
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Zeolitic Materials with Hierarchical Porous Structures
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Luckas N., Gotterbarm K., Streber R., Lorenz MPA., Höfert O., Vines F., Papp C., Görling A., Steinrück HP.:
Adsorption and reaction of SO2 on clean and oxygen precovered Pd(100) - A combined HR-XPS and DF study
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Real-time in-situ observation of morphological changes in organic bulk-heterojunction solar cells by means of capacitance measurements
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Asymptotic analysis of flow processes at drawing of single optical microfibres
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Comparison between an analytical asymptotic fiber drawing model with full Navier-Stokes solution taking into account the effects of inner pressure and surface tension
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Determination of solubility parameters for organic semiconductor formulations
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Capture of Carbon Dioxide at the Gas-Liquid Interface Elucidated by Surface Science Approaches
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Nanoindentation strain-rate jump tests for determining the local strain-rate sensitivity in nanocrystalline Ni and ultrafine-grained Al
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Fabrication, charge carrier transport, and application of printable nanocomposites based on indium tin oxide nanoparticles and conducting polymer 3,4-ethylenedioxythiophene/polystyrene sulfonic acid
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Wet chemistry of graphene
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Towards tunable graphene/phthalocyanine-PPV hybrid systems
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Marchenko P., Orlov S., Huber C., Banzer P., Quabis S., Peschel U., Leuchs G.:
Interaction of highly focused vector beams with a metal knife-edge
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Marczak R., Werner F., Ahmad R., Lobaz V., Guldi DM., Peukert W.:
Detailed investigations of ZnO photoelectrodes preparation for dye sensitized solar cells
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Hybrid lattice-Boltzmann and finite-difference simulation of electroosmotic flow in microchannel
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Mckenna KP., Koller D., Sternig A., Siedl N., Govind N., Sushko PV., Diwald O.:
Optical Properties of Nanocrystal Interfaces in Compressed MgO Nanopowders
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Merle B., Göken M.:
Fracture toughness of silicon nitride thin films of different thicknesses as measured by bulge tests
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Meszaros R., Zhao R., Travitzky N., Fey T., Greil P., Wondraczek L.:
Three-dimensional printing of a bioactive glass
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Miersch L., Schlesinger M., Troff RW., Schalley CA., Rueffer T., Lang H., Zahn D., Mehring M.:
Hydrolysis of a Basic Bismuth Nitrate-Formation and Stability of Novel Bismuth Oxido Clusters
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Mitschke H., Schwerdtfeger J., Schury F., Stingl M., Körner C., Singer R., Robins V., Mecke K., Schröder-Turk G.:
Finding Auxetic Frameworks in Periodic Tessellations
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Molina-Ontoria A., Wielopolski M., Gebhardt J., Gouloumis A., Clark T., Guldi DM., Martin N.:
[2,2]Paracyclophane-Based π-Conjugated Molecular Wires Reveal Molecular-Junction Behavior
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Montaine M., Heckel M., Kruelle C., Schwager T., Pöschel T.:
Coefficient of restitution as a fluctuating quantity
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Collision of viscoelastic spheres: Compact expressions for the coefficient of normal restitution
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Two-ball problem revisited: Limitations of event-driven modeling
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Nachtrab F., Weis S., Kessling P., Sukowski F., Hassler U., Fuchs T., Uhlmann N., Hanke R.:
Quantitative material analysis by dual-energy computed tomography for industrial NDT applications
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Nachtrab S., Kapfer S., Arns CH., Madadi M., Mecke K., Schröder-Turk G.:
Morphology and Linear-Elastic Moduli of Random Network Solids
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Nicola A., Popa C., Rüde U.:
Projection Algorithms with Correction
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On the regioselectivity of the insertion step in nickel complex catalyzed dimerization of butene: A density-functional study
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Novak M., Ebel A., Meyer-Friedrichsen T., Jedaa A., Vieweg B., Yang G., Voitchovsky K., Stellacci F., Spiecker E., Hirsch A., Halik M.:
Low-Voltage p- and n-Type Organic Self-Assembled Monolayer Field Effect Transistors
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Influence of self-assembled monolayer dielectrics on the morphology and performance of α,ω-dihexylquaterthiophene in thin film transistors
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Paskaleva A., Lemberger M., Bauer AJ., Frey L.:
Implication of oxygen vacancies on current conduction mechanisms in TiN/Zr1-xAlxO2/TiN metal-insulator-metal structures
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Pedimonte J., Travitzky N., Korn M., Kriegelstein S., Greil P.:
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Minkowski Tensor Shape Analysis of Cellular, Granular and Porous Structures
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Stress evolution and cracking of crystalline diamond thin films on ductile titanium substrate: Analysis by micro-Raman spectroscopy and analytical modelling
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Circular Dichroism in Biological Photonic Crystals and Cubic Chiral Nets
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A Fully Conjugated TTF-π-TCAQ System: Synthesis, Structure, and Electronic Properties
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Complex Faraday Rotation in Microstructured Magneto-optical Fiber Waveguides
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Mesoporous Organosilicas With Large Cage-Like Pores for High Efficiency Immobilization of Enzymes
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