@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{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{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{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{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{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{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{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{13531, author = {{Schmidt, Christian and Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{24098--24106}}, title = {{{Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals}}}, doi = {{10.1021/jp307316r}}, volume = {{116}}, year = {{2012}}, } @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}}, } @article{25965, abstract = {{Nanoporous ZnO powders with high surface-to-mass ratios (SMR) between 15 and 70 m2 g−1 are synthesized, structurally characterized, and studied by time-resolved photoluminescence (PL). A strong dependence of the recombination dynamics and spectral width on SMR is observed at T = 10 K, and pronounced disorder-induced effects are found in the temperature dependence. Both the thermally induced shift of the PL maximum and the spectrally integrated PL intensity are interpreted by appropriate theoretical models. This consistent quantitative analysis of the experimental data yields a characteristic energy of 15 meV for the disorder scale in the nanoporous ZnO sample with an intermediate SMR.}}, author = {{Chernikov, Alexej and Horst, Swantje and Waitz, Thomas and Tiemann, Michael and Chatterjee, Sangam}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{1375--1379}}, title = {{{Photoluminescence Properties of Ordered Mesoporous ZnO}}}, doi = {{10.1021/jp104293e}}, year = {{2011}}, } @article{25972, abstract = {{In2O3 with ordered, uniform mesoporosity is prepared by nanocasting, using various porous silica phases (KIT-6, SBA-15) as structure matrices. The In2O3 particles exhibit well-defined morphologies (spherical or ellipsoidal, depending on the choice of silica matrix) and quite uniform sizes in the range of a few hundred nanometers. The regular morphology of the In2O3 particles is not associated with the morphological properties of the silica matrices. Instead, it is the result of the growth mechanism of In2O3 inside the silica pores; this mechanism is investigated in some detail. Hence, the nanocasting method offers a versatile and simple way of creating mesoporous In2O3 with regular morphology; this will be beneficial for many applications that require well-defined morphological properties, such as gas sensing or catalysis.}}, author = {{Haffer, Stefanie and Waitz, Thomas and Tiemann, Michael}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{2075--2081}}, title = {{{Mesoporous In2O3 with Regular Morphology by Nanocasting: A Simple Relation between Defined Particle Shape and Growth Mechanism}}}, doi = {{10.1021/jp910336f}}, year = {{2010}}, } @article{13659, author = {{Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{12653--12657}}, title = {{{Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures}}}, doi = {{10.1021/jp902337p}}, volume = {{113}}, year = {{2009}}, } @article{13661, author = {{Landmann, M. and Rauls, E. and Schmidt, Wolf Gero}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, pages = {{5690--5699}}, title = {{{Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles}}}, doi = {{10.1021/jp810581s}}, volume = {{113}}, year = {{2009}}, }