Zobrazeno 1 - 10
of 43
pro vyhledávání: '"Wichard J. D. Beenken"'
Autor:
Rico Meitzner, Gregory C. Welch, Carsten Deibel, Christian Kästner, Daniel A. M. Egbe, Johannes Ahner, Friedrich Kremer, Tomáš Váry, Frédéric Laquai, Ulrich S. Schubert, Oliver Brüggemann, Uwe Ritter, Vladimir Dyakonov, Harald Hoppe, Safakath Karuthedath, Arthur Markus Anton, Alexander Konkin, Christian Friebe, Christoph Ulbricht, Andreas Sperlich, Vojtech Nádaždy, Jonathan Cann, Aman Anand, Wichard J. D. Beenken, Martin D. Hager, Clemens Göhler, Stefanie Dietz, Shahidul Alam, Catherine S. de Castro
Publikováno v:
Journal of Materials Chemistry C. 9:14463-14489
It is common knowledge that molecular energy level offsets of a type II heterojunction formed at the donor–acceptor interface are considered to be the driving force for photoinduced charge transfer in organic solar cells. Usually, these offsets –
Publikováno v:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 478:62-69
We developed a quantum-chemical approach for ab initio calculations of metastable-induced electron-emission spectra (MIES). In contrast to earlier work, our calculation method accounts for the anisotropy of the MIES spectra with respect to not only t
Publikováno v:
physica status solidi (b). 253:1907-1915
Using density functional theory, we investigate systematically mixed MA(Pb:Sn)X3 perovskites, where MA is CH3NH3+, and X is Cl, Br, or I. Ab initio calculations of the orthorhombic, tetragonal, and cubic perovskite phases show that the substitution o
Publikováno v:
The Journal of Physical Chemistry A. 120:3835-3841
Using density functional calculations with and without dispersion interaction, we studied the effects of linear octyl and branched 2-ethylhexyl side chains on the oligomer conformation of the conjugated copolymer poly(p-anthracene-ethynylene)-alt-pol
Publikováno v:
The Journal of Physical Chemistry C. 118:30162-30169
Porphyrin molecules are ubiquitous and play an important role in chemical and biological processes. Their wide panoply of functions may be controlled by modifying their peripheral substituents. Electron injection from the tip of a scanning tunneling
Autor:
Wichard J. D. Beenken, Chuan-Ding Dong
Publikováno v:
The journal of physical chemistry. B. 121(9)
We investigated the intercalation of C60 into poly(p-anthracene-ethynylene)-alt-poly(p-phenylene-vinylene) copolymers layers by density functional theory calculations in respect of crystal structures and electronic band structures. Based on the exper
Publikováno v:
Chemical Physics Letters. 603:21-27
We analyse the behaviour of mono-protonated 5-phenylporphyrin upon por-ph torsion to get insights into torsion-induced reactivity changes. In contrast to the majority of structures, nitrogen-accessibility volume (Vreact) is larger for front-side (exp
Publikováno v:
Journal of Molecular Liquids. 192:77-86
We have studied various ionic liquids by photoemission spectroscopy. For a more in depth interpretation of the experimental results, in particular of valence spectra, a theoretical reconstruction of these spectra by means of density functional theory
Autor:
Chuan-Ding Dong, Wichard J. D. Beenken
Publikováno v:
The journal of physical chemistry. B. 120(41)
In this work, we report an in-depth investigation on the π-stacking and interdigitating structures of poly(p-anthracene-ethynylene)-alt-poly(p-phenylene-vinylene) copolymer with octyl and ethyl-hexyl side chains and the resulting electronic band str
Autor:
Harald Hoppe, Jürgen Parisi, Ingo Riedel, Clemens Feser, Christine Chory, Wolfram Heimbrodt, Wichard J. D. Beenken, Carsten Kruska
Publikováno v:
physica status solidi (a). 209:2212-2216
We report on the solution-based synthesis and characterization of three-dimensional networks of ZnO nanoparticles where the formation of structures is achieved by covalently linking the nanocrystals with bifunctional organic ligands. The colloidal sy