554 citations · 828 across the 6 of their papers we have counts for
6 papers
Tuning Spin Current Injection at Ferromagnet/Non-Magnet Interfaces by Molecular Design
Angela Wittmann, Guillaume Schweicher, Katharina Broch +13
There is a growing interest in utilizing the distinctive material properties of organic semiconductors for spintronic applications. Here, we explore injection of pure spin current…
Molecular Tuning of the Magnetic Response in Organic Semiconductors
Erik R. McNellis, Sam Schott, Henning Sirringhaus +1
The tunability of high-mobility organic semi-conductors (OSCs) holds great promise for molecular spintronics. In this study, we show this extreme variability - and therefore potent…
Tuning the effective spin-orbit coupling in molecular semiconductors
Sam Schott, Erik R. McNellis, Christian B. Nielsen +7
The control of spins and spin to charge conversion in organics requires understanding the molecular spin-orbit coupling (SOC), and a means to tune its strength. However, quantifyin…
Azobenzene versus 3,3',5,5'-tetra-tert-butyl-azobenzene (TBA) at Au(111): Characterizing the role of spacer groups
Erik R. McNellis, Christopher Bronner, Jorg Meyer +3
We present large-scale density-functional theory (DFT) calculations and temperature programmed desorption measurements to characterize the structural, energetic and vibrational pro…
Azobenzene at Coinage Metal Surfaces: The Role of Dispersive van der Waals Interactions
Erik McNellis, Jorg Meyer, Karsten Reuter
We use different semi-empirical dispersion correction schemes to assess the role of long-range van der Waals interactions in the adsorption of the prototypical molecular switch azo…
Stabilizing a Molecular Switch at Solid Surfaces: A Density-Functional Theory Study of Azobenzene at Cu(111), Ag(111), and Au(111)
Erik McNellis, Jorg Meyer, Abbas Dehghan Baghi +1
We present a density-functional theory trend study addressing the binding of the trans-cis conformational switch azobenzene (C6H5-N=N-C6H5) at three coinage metal surfaces. From th…