New APS-Fellows Mackillo Kira & Daniel Sánchez-Portal

SFB 1083 congratulates its members Prof. Dr. Mackillo Kira, Marburg, and Dr. Daniel Sánchez-Portal from the Donostia International Physics Center (DIPC) in Spain upon their election as Fellows to the American Physical Society (APS).

Prof. Dr. Mackillo Kira (left), Co-PI of project B4 “Microscopic theory of optical excitations in interface- dominated material systems”, has been elected Fellow of the APS in recognition “for contributions to theoretical semiconductor quantum optics”. His nomination came through the Division of Laser Science of the APS. See also: Physics-Homepage.

Dr. Daniel Sánchez-Portal (right), Co-PI of project GP1 “Electron dynamics at organic/inorganic interfaces from first principles” based at the Donostia International Physics Center (DIPC) in San Sebastián Spain, has been elected Fellow of the APS in recognition “for contributions to the development and use of electronic structure methods, especially SIESTA and its time-dependent version, which has enabled the simulation of systems of unprecedented complexity.” His nomination came through the Computational Physics Division of the APS.

New Publication by A2 (Witte)

The authors Tobias Breuer and Gregor Witte working in project A2 of SFB 1083 demonstrate a novel concept for the preparation of organic interfaces and solid heterostructures of tunable molecular orientation in a new publication in ACS Applied Materials & Interfaces.

The controlled preparation of heterostructures of various materials is an important prerequisite for the fabrication of electronic devices and sensors. For example, structural control of heterostructures of conventional, inorganic semiconductors enables electronic band engineering. In contrast with such covalently bound systems, rather little is known on appropriate strategies to facilitate organic heterostructures of precise, controlled structure. This is especially true, as organic materials are typically bound by rather weak van-der-Waals interaction only. Therefore, direct utilization of covalent bonding mechanisms which also direct the structure formation
in inorganic heterostructures is not possible. In the past, a number of strategies were developed to prepare organic films of high structural order and homogeneity. These mostly utilized enhanced adsorption energies at inorganic substrates or lattice match to gain control over film structure and molecular orientation. However, these approaches have been limited to unitary films only. The realization of organic heterostructures also requires consideration of molecular orientation, a peculiarity of molecular materials which is absent in the inorganic counterparts. Due to their anisotropic shape, the orientation of individual molecules in the films constitutes an important parameter, as opto-electronic characteristics of processed molecular solids are strongly determined by their alignment.

The authors developed the idea to employ molecular pattern recognition on the nanoscale. They show that molecules of sufficiently similar structure can transfer their orientation from a bottom layer to the top layer of the second compound and thereby “inherit” their structure. The authors also show that this process reliably takes place for all different mutual configurations (i.e. in standing or recumbent orientation) of the model-type organic donor molecules pentacene (PEN) and acceptor molecules perfluoropentacene (PFP). This has allowed them to facilitate internal interfaces in organic heterostructures in different exclusive orientations. Unlike frequently observed for unitary organic film growth, orientation of the constituents is not only controlled at the interface with the organic bottom layer but also persists for thicker top layers (thicknesses up to 30 nm), proving the stability of this concept.

This novel structuring method for precise molecular interfaces with tunable molecular orientation paves the way for a detailed characterization of the intermolecular
electronic coupling as a function of the mutual alignment which will be addressed in upcoming studies within SFB 1083.

Publication:

T. Breuer and G. Witte: Controlling Nanostructures by Templated Templates: Inheriting Molecular Orientation in Binary Heterostructures,
ACS Applied Materials & Interfaces (2015), DOI: 10.1021/acsami.5b07409

New project B8 (Berger) funded by DFG

Robert Berger, Professor for Theoretical Chemistry at Philipps-Universität Marburg since April 2014, joins the SFB as a Principal Investigator.

His project entitled “Quantum chemistry for molecular vibrational and electronic transitions at organic interfaces” has been granted funding as a supplementary propososal by the DFG. Professor Berger’s expertise in vibronic structure theory and quantum chemistry of molecular properties will particularly strengthen our research efforts at internal interfaces of organic materials that consist of extended pi systems.