@article{13343, author = {{Vollbrecht, Joachim and Wiebeler, Christian and Bock, Harald and Schumacher, Stefan and Kitzerow, Heinz-Siegfried}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, number = {{7}}, pages = {{4483--4492}}, title = {{{Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis}}}, doi = {{10.1021/acs.jpcc.8b10730}}, volume = {{123}}, year = {{2019}}, } @article{19214, author = {{Badalov, S. V. and Yagmurcukardes, M. and Peeters, F. M. and Sahin, H.}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{28302--28309}}, title = {{{Enhanced Stability of Single-Layer w-Gallenene through Hydrogenation}}}, doi = {{10.1021/acs.jpcc.8b07353}}, year = {{2018}}, } @article{1764, author = {{Atorf, Bernhard and Rasouli, Hoda and Mühlenbernd, Holger and Reineke, Bernhard J. and Zentgraf, Thomas and Kitzerow, Heinz-Siegfried}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, number = {{8}}, pages = {{4600--4606}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Switchable Plasmonic Holograms Utilizing the Electro-Optic Effect of a Liquid-Crystal Circular Polarizer}}}, doi = {{10.1021/acs.jpcc.7b12609}}, volume = {{122}}, year = {{2018}}, } @article{26106, abstract = {{We study the variation of the adhesion forces between wet TiO2 nanoparticles as a function of their size and the ambient relative humidity. Combining all-atom molecular dynamics and capillary simulations we demonstrate that the linear scaling of the interparticle forces with the particle diameter, well established for microscopic and macroscopic particles, can be extended down to diameters of a few nm. At this size scale, however, the molecular nature of the water adsorbates dictates the adhesion forces both via solvation effects and influencing parameters of analytical capillary models such as the equilibrium particle–particle separation distance and the water/particle contact angle. Moreover, the water surface tension becomes considerably larger than the macroscopic bulk value due to combined effects of thin-film confinement and tight curvature, in a way that strongly depends on humidity and particle size. Taking these effects into proper account, classical capillary equations can be used to predict the interparticle forces even of the smallest particles considered here (4 nm), although the circular approximation fails to reproduce the distance at which the water meniscus breaks. Finally, the transition between the dominating effects at the nanoscopic scale and conventional capillary theory valid at microscopic size scales can be only rationalized if the presence of roughness asperities on the surface of the large particles is explicitly taken into account.}}, author = {{Laube, Jens and Dörmann, Michael and Schmid, Hans-Joachim and Mädler, Lutz and Colombi Ciacchi, Lucio}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{15294--15303}}, title = {{{Dependencies of the Adhesion Forces between TiO2 Nanoparticles on Size and Ambient Humidity}}}, doi = {{10.1021/acs.jpcc.7b05655}}, year = {{2017}}, } @article{13424, author = {{Aldahhak, Hazem and Paszkiewicz, M. and Allegretti, F. and Duncan, D. A. and Tebi, S. and Deimel, P. S. and Casado Aguilar, P. and Zhang, Y.-Q. and Papageorgiou, A. C. and Koch, R. and Barth, J. V. and Schmidt, Wolf Gero and Müllegger, S. and Schöfberger, W. and Klappenberger, F. and Rauls, E. and Gerstmann, Uwe}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{2192--2200}}, title = {{{X-ray Spectroscopy of Thin Film Free-Base Corroles: A Combined Theoretical and Experimental Characterization}}}, doi = {{10.1021/acs.jpcc.6b09935}}, volume = {{121}}, year = {{2017}}, } @article{15734, author = {{Ghorbani, Elaheh and Kiss, Janos and Mirhosseini, Hossein and Schmidt, Markus and Windeln, Johannes and Kühne, Thomas and Felser, Claudia}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{2064--2069}}, title = {{{Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations}}}, doi = {{10.1021/acs.jpcc.5b11022}}, year = {{2016}}, } @article{13480, author = {{Paulheim, A. and Marquardt, C. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero and Sokolowski, M.}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{11926--11937}}, title = {{{Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces}}}, doi = {{10.1021/acs.jpcc.6b01956}}, volume = {{10}}, year = {{2016}}, } @article{15856, author = {{Vollbrecht, Joachim and Wiebeler, Christian and Neuba, Adam and Bock, Harald and Schumacher, Stefan and Kitzerow, Heinz-Siegfried}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{7839--7848}}, title = {{{Bay-Extended, Distorted Perylene Esters Showing Visible Luminescence after Ultraviolet Excitation: Photophysical and Electrochemical Analysis}}}, doi = {{10.1021/acs.jpcc.6b00954}}, year = {{2016}}, } @article{23634, author = {{Haddad, Julia and Steinrück, Hans-Georg and Hlaing, Htay and Kewalramani, Sumit and Pontoni, Diego and Reichert, Harald and Murphy, Bridget M. and Festersen, Sven and Runge, Benjamin and Magnussen, Olaf M. and Magerl, Andreas and Deutsch, Moshe and Ocko, Benjamin M.}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{17648--17654}}, title = {{{Order and Melting in Self-Assembled Alkanol Monolayers on Amorphous SiO2}}}, doi = {{10.1021/acs.jpcc.5b03554}}, volume = {{119}}, year = {{2015}}, } @article{15736, author = {{Ghorbani, Elaheh and Kiss, Janos and Mirhosseini, Hossein and Roma, Guido and Schmidt, Markus and Windeln, Johannes and Kühne, Thomas and Felser, Claudia}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{25197--25203}}, title = {{{Hybrid-Functional Calculations on the Incorporation of Na and K Impurities into the CuInSe2 and CuIn5Se8 Solar-Cell Materials}}}, doi = {{10.1021/acs.jpcc.5b07639}}, year = {{2015}}, } @article{10029, author = {{Braun, Christian and Sanna, Simone and Schmidt, Wolf Gero}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{9342--9346}}, title = {{{Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces}}}, doi = {{10.1021/acs.jpcc.5b00894}}, year = {{2015}}, } @article{13499, author = {{Thissen, Peter and Fuchs, Ehud and Roodenko, Katy and Peixoto, Tatiana and Batchelor, Ben and Smith, Dennis and Schmidt, Wolf Gero and Chabal, Yves}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{16947--16953}}, title = {{{Nanopatterning on H-Terminated Si(111) Explained as Dynamic Equilibrium of the Chemical Reaction with Methanol}}}, doi = {{10.1021/acs.jpcc.5b03816}}, volume = {{119}}, year = {{2015}}, } @article{15860, author = {{Denis, Jean-Christophe and Schumacher, Stefan and Hedley, Gordon J. and Ruseckas, Arvydas and Morawska, Paulina O. and Wang, Yue and Allard, Sybille and Scherf, Ullrich and Turnbull, Graham A. and Samuel, Ifor D. W. and Galbraith, Ian}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{9734--9744}}, title = {{{Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory}}}, doi = {{10.1021/acs.jpcc.5b00680}}, year = {{2015}}, } @article{10036, author = {{Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{10213--10220}}, title = {{{Modeling LiNbO3 Surfaces at Ambient Conditions}}}, doi = {{10.1021/jp502936f}}, year = {{2014}}, } @article{13512, author = {{Sanna, Simone and Schmidt, Wolf Gero and Thissen, Peter}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{8007--8013}}, title = {{{Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)}}}, doi = {{10.1021/jp500170t}}, volume = {{118}}, year = {{2014}}, } @article{13508, author = {{Guo, Q. and Paulheim, A. and Sokolowski, M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{29911--29918}}, title = {{{Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface}}}, doi = {{10.1021/jp509663s}}, volume = {{118}}, year = {{2014}}, } @article{25953, abstract = {{Nanostructure-related magnetic properties are investigated systematically for various mesoporous cobalt oxide (Co3O4) and cobalt ferrite (CoFe2O4) spinel phases. Synthesis of the materials by nanocasting offers the opportunity to obtain materials which are different from each other with respect to both specific surface area and crystallite size. As a result, the respective contributions of two types of interfaces, namely, “solid–gas” and “solid–solid” interfaces, to the magnetic ordering can be distinguished. Structural characterization of the porous materials by X-ray diffraction, N2 physisorption, and electron microscopy as well as investigation of the magnetic behavior (field-dependent magnetization and temperature-dependent susceptibility) are presented.}}, author = {{Haffer, Stefanie and Walther, Till and Köferstein, Roberto and Ebbinghaus, Stefan G. and Tiemann, Michael}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{24471--24478}}, title = {{{Nanostructure-Related Magnetic Properties of Various Mesoporous Cobalt Oxide and Cobalt Ferrite Spinel Phases}}}, doi = {{10.1021/jp409058t}}, year = {{2013}}, } @article{15870, author = {{Ling, Sanliang and Schumacher, Stefan and Galbraith, Ian and Paterson, Martin J.}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{6889--6895}}, title = {{{Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes}}}, doi = {{10.1021/jp401359a}}, year = {{2013}}, } @article{41243, author = {{Bauer, Matthias and Schoch, Roland and Shao, Lidong and Zhang, Bingsen and Knop-Gericke, Axel and Willinger, Marc and Schlögl, Robert and Teschner, Detre}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{42}}, pages = {{22375--22385}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Structure–Activity Studies on Highly Active Palladium Hydrogenation Catalysts by X-ray Absorption Spectroscopy}}}, doi = {{10.1021/jp306962v}}, volume = {{116}}, year = {{2012}}, } @article{41984, author = {{Nayuk, R. and Zacher, D. and Schweins, R. and Wiktor, C. and Fischer, R. A. and van Tendeloo, G. and Huber, Klaus}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{10}}, pages = {{6127--6135}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Modulated Formation of MOF-5 Nanoparticles—A SANS Analysis}}}, doi = {{10.1021/jp3003728}}, volume = {{116}}, year = {{2012}}, }