Synthesis and Surface Behaviour of NDI Chromophores Mounted on a Tripodal Scaffold: Towards Self-Decoupled Chromophores for Single-Molecule Electroluminescence

This paper reports the efficient synthesis, absorption and emission spectra, and the electrochemical properties of a series of 2,6-disubstituted naphthalene-1,4,5,8-tetracarboxdiimide (NDI) tripodal molecules with thioacetate anchors for their surface investigations. Our studies showed that, in particular, the pyrrolidinyl group with its strong electron-donating properties enhanced the fluorescence of such core-substituted NDI chromophores and caused a significant bathochromic shift in the absorption spectrum with a correspondingly narrowed bandgap of 1.94 eV. Cyclic voltammetry showed the redox properties of NDIs to be influenced by core substituents. The strong electron-donating character of pyrrolidine substituents results in rather high HOMO and LUMO levels of -5.31 and -3.37 eV when compared with the parental unsubstituted NDI. UHV-STM measurements of a sub-monolayer of the rigid tripodal NDI chromophores spray deposited on Au(111) show that these molecules mainly tend to adsorb flat in a pairwise fashion on the surface and form unordered films. However, the STML experiments also revealed a few molecular clusters, which might consist of upright oriented molecules protruding from the molecular island and show electroluminescence photon spectra with high electroluminescence yields of up to 6×10$^{-3}$. These results demonstrate the promising potential of the NDI tripodal chromophores for the fabrication of molecular devices profiting from optical features of the molecular layer

Hot luminescence from single-molecule chromophores electrically and mechanically self-decoupled by tripodal scaffolds

Control over the electrical contact to an individual molecule is one of the biggest challenges in molecular optoelectronics. The mounting of individual chromophores on extended tripodal scaffolds enables both efficient electrical and mechanical decoupling of individual chromophores from metallic leads. Core-substituted naphthalene diimides fixed perpendicular to a gold substrate by a covalently attached extended tripod display high stability with well-defined and efficient electroluminescence down to the single-molecule level. The molecularly controlled spatial arrangement balances the electric conduction for electroluminescence and the insulation to avoid non-radiative carrier recombination, enabling the spectrally and spatially resolved electroluminescence of individual self-decoupled chromophores in a scanning tunneling microscope. Hot luminescence bands are even visible in single self-decoupled chromophores, documenting the mechanical decoupling between the vibrons of the chromophore and the substrate

The Crowdsourced Replication Initiative: Investigating Immigration and Social Policy Preferences. Executive Report.

In an era of mass migration, social scientists, populist parties and social movements raise concerns over the future of immigration-destination societies. What impacts does this have on policy and social solidarity? Comparative cross-national research, relying mostly on secondary data, has findings in different directions. There is a threat of selective model reporting and lack of replicability. The heterogeneity of countries obscures attempts to clearly define data-generating models. P-hacking and HARKing lurk among standard research practices in this area.This project employs crowdsourcing to address these issues. It draws on replication, deliberation, meta-analysis and harnessing the power of many minds at once. The Crowdsourced Replication Initiative carries two main goals, (a) to better investigate the linkage between immigration and social policy preferences across countries, and (b) to develop crowdsourcing as a social science method. The Executive Report provides short reviews of the area of social policy preferences and immigration, and the methods and impetus behind crowdsourcing plus a description of the entire project. Three main areas of findings will appear in three papers, that are registered as PAPs or in process

Design, Synthesis and Evolution of Functional Tripodal Platforms for Single Molecule Devices

Controlling the interface between a solid-state substrate and the decorating molecular functionalized layers is of fundamental interest in nanotechnology. The topic of this work is the synthesis of tripodal platforms for surface functionalization. Based on a triphenylmethane scaffold with three thiol anchoring groups, we aim to provide upstanding and electronically optimized contacts to gold substrates. Additionally, the thesis deals with the design and synthesis of chromophores and molecular rotors, which are subsequently mounted on the tripodal platforms. Finally, the functional units’ eligibility for single molecule measurements by means of STM is discussed

Synthesis and Surface Behaviour of NDI Chromophores Mounted on a Tripodal Scaffold: Towards Self-Decoupled Chromophores for Single-Molecule Electroluminescence

This paper reports the efficient synthesis, absorption and emission spectra, and the electrochemical properties of a series of 2,6-disubstituted naphthalene-1,4,5,8-tetracarboxdiimide (NDI) tripodal molecules with thioacetate anchors for their surface investigations. Our studies showed that, in particular, the pyrrolidinyl group with its strong electron-donating properties enhanced the fluorescence of such core-substituted NDI chromophores and caused a significant bathochromic shift in the absorption spectrum with a correspondingly narrowed bandgap of 1.94 eV. Cyclic voltammetry showed the redox properties of NDIs to be influenced by core substituents. The strong electron-donating character of pyrrolidine substituents results in rather high HOMO and LUMO levels of -5.31 and -3.37 eV when compared with the parental unsubstituted NDI. UHV-STM measurements of a sub-monolayer of the rigid tripodal NDI chromophores spray deposited on Au(111) show that these molecules mainly tend to adsorb flat in a pairwise fashion on the surface and form unordered films. However, the STML experiments also revealed a few molecular clusters, which might consist of upright oriented molecules protruding from the molecular island and show electroluminescence photon spectra with high electroluminescence yields of up to 6x10(-3). These results demonstrate the promising potential of the NDI tripodal chromophores for the fabrication of molecular devices profiting from optical features of the molecular layer

The Crowdsourced Replication Initiative: Investigating Immigration and Social Policy Preferences. Executive Report

Breznau N, Rinke EM, Wuttke A, et al. The Crowdsourced Replication Initiative: Investigating Immigration and Social Policy Preferences. Executive Report. 2019

Observing many researchers using the same data and hypothesis reveals a hidden universe of uncertainty.

This study explores how researchers' analytical choices affect the reliability of scientific findings. Most discussions of reliability problems in science focus on systematic biases. We broaden the lens to emphasize the idiosyncrasy of conscious and unconscious decisions that researchers make during data analysis. We coordinated 161 researchers in 73 research teams and observed their research decisions as they used the same data to independently test the same prominent social science hypothesis: that greater immigration reduces support for social policies among the public. In this typical case of social science research, research teams reported both widely diverging numerical findings and substantive conclusions despite identical start conditions. Researchers' expertise, prior beliefs, and expectations barely predict the wide variation in research outcomes. More than 95% of the total variance in numerical results remains unexplained even after qualitative coding of all identifiable decisions in each team's workflow. This reveals a universe of uncertainty that remains hidden when considering a single study in isolation. The idiosyncratic nature of how researchers' results and conclusions varied is a previously underappreciated explanation for why many scientific hypotheses remain contested. These results call for greater epistemic humility and clarity in reporting scientific findings

Observing Many Researchers Using the Same Data and Hypothesis Reveals a Hidden Universe of Uncertainty

Breznau N, Rinke EM, Wuttke A, et al. Observing Many Researchers Using the Same Data and Hypothesis Reveals a Hidden Universe of Uncertainty. 2021.This study explores how researchers’ analytical choices affect the reliability of scientific findings. Most discussions of reliability problems in science focus on systematic biases. We broaden the lens to include conscious and unconscious decisions that researchers make during data analysis and that may lead to diverging results. We coordinated 161 researchers in 73 research teams and observed their research decisions as they used the same data to independently test the same prominent social science hypothesis: that greater immigration reduces support for social policies among the public. In this typical case of research based on secondary data, we find that research teams reported widely diverging numerical findings and substantive conclusions despite identical start conditions. Researchers’ expertise, prior beliefs, and expectations barely predicted the wide variation in research outcomes. More than 90% of the total variance in numerical results remained unexplained even after accounting for research decisions identified via qualitative coding of each team’s workflow. This reveals a universe of uncertainty that is hidden when considering a single study in isolation. The idiosyncratic nature of how researchers’ results and conclusions varied is a new explanation for why many scientific hypotheses remain contested. It calls for greater humility and clarity in reporting scientific findings