Influence of N-introduction on the electronic structure and properties of polyacenes: experiment and quantum chemistry in concert

A Dreuw, P Tegeder - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
N-Heteropolycycles (NHPCs) represent a promising substance class for applications in
functional organic materials, since their electronic structure and the resulting individual …

Tuning optical properties of dibenzochrysenes by functionalization: a many-body perturbation theory study

N Dardenne, R Cardia, J Li, G Malloci… - The Journal of …, 2017 - ACS Publications
Using many-body perturbation theory, the optical properties of modified compact and
angular dibenzochrysenes are investigated. First, for a series of already existing molecules …

Influence of N-introduction in pentacene on the electronic structure and excited electronic states

M Hoffmann, M Ajdari, F Landwehr… - Physical Chemistry …, 2022 - pubs.rsc.org
N-Heteropolycyclic aromatic compounds are promising organic semiconductors for
applications in field effect transistors and solar cells. Thereby the electronic structure of …

Electronic properties of 6, 13-diazapentacene adsorbed on Au (111): a quantitative determination of transport, singlet and triplet states, and electronic spectra

M Ajdari, T Schmitt, M Hoffmann, F Maass… - The Journal of …, 2020 - ACS Publications
The electronic structure of organic/metal interfaces and thin films is essential for the
performance of organic-molecule-based field effect transistors and solar cells. Here, we …

Lightening up a dark state of a pentacene derivative via N-introduction

M Ajdari, A Stein, M Hoffmann, M Müller… - The Journal of …, 2020 - ACS Publications
N-Heteropolycyclic aromatic compounds are promising organic electron-transporting
semiconductors for applications in field effect transistors. Here, we studied the structural and …

5, 7, 12, 14‐Tetrafunctionalized 6, 13‐Diazapentacenes

G Xie, M Hauschild, H Hoffmann… - … A European Journal, 2020 - Wiley Online Library
The synthesis, property evaluation, and single crystal X‐ray structures of four 5, 7, 12, 14‐
tetrafunctionalized diazapentacenes are presented. The synthesis of these compounds …

New Heteropolycyclic Structures for Fluoride Anion Sensing by Naked‐Eye Visualization

L Zhu, Y Wen, H Liu, Z Zeng, J Zhao, J Jiang… - …, 2018 - Wiley Online Library
Fluoride anion (F−) plays an important and fundamental role in chemical, biological,
pathological, and environmental processes. It is highly desired to develop new methods for …

Electronic Structure and Adsorption Geometry of Interfaces with N-Heteropolycycles

M Ajdari - 2024 - archiv.ub.uni-heidelberg.de
N-heteropolycycles are a class of aromatic compounds, in which C–H units of polycyclic
aromatic hydrocarbons (PAHs) are substituted with N-atoms. These compounds are …

Electronic Structure, Band Formation and Singlet Fission Dynamics at Metal/Organic Interfaces

A Stein - 2019 - archiv.ub.uni-heidelberg.de
Charge carrier injection at the metal/organic interface is crucial for the performance of
organic semiconductor based (opto) electronic devices. To achieve an efficient charge …

Synthesis and Characterization of Azaacenes and Stable Azaacene Radical Cations

G Xie - 2020 - archiv.ub.uni-heidelberg.de
This thesis focuses on the synthesis and characterization of azaacenes and stable
azaacene radical cations. In Chapter 2, the synthesis, properties, and solid state X-ray single …