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7 papers · 2 filters
Stoichiometry and Thickness of Epitaxial SrTiO on Silicon (001): an Investigation of Physical, Optical and Electrical Properties
Andries Boelen, Marina Baryshnikova, Anja Ulrich +4
Strontium titanate (SrTiO, STO) stands out as a promising material for various electronic applications thanks to its exceptional dielectric properties. Molecular beam epitaxy…
Dissociative photoionization of EUV lithography photoresist models
Marziogiuseppe Gentile, Marius Gerlach, Robert Richter +4
The dissociative photoionization of \textit{tert}-butyl methyl methacrylate, a monomer unit found in many ESCAP resists, was investigated in a gas phase photoelectron photoion coin…
Size Effect on Raman Measured Stress and Strain Induced Phonon Shifts in Ultra-Thin Film Silicon
Christopher Pashartis, Michiel J. van Setten, Geoffrey Pourtois
The fabrication of complex nano-scale structures, which is a crucial step in the scaling of (nano) electronic devices, often leads to residual stress in the different layers presen…
On the critical competition between singlet exciton decay and free charge generation in non-fullerene-based organic solar cells with low energetic offsets
M. Pranav, A. Shukla, D. Moser +16
In this era of non-fullerene acceptor (NFA) based organic solar cells, reducing voltage losses while maintaining high photocurrents is the holy grail of current research. Recent fo…
A First-Principles Tool to Discover New Pyrometallurgical Refining Options
Michiel J. Van Setten, Annelies Malfliet, Geoffroy Hautier +1
We demonstrate the opportunities of first-principles density functional theory (DFT) calculations for the development of new metallurgical refining processes. As such, a methodolog…
First-principles investigation of hydrogen-related reactions on (100)--(21)H diamond surfaces
Emerick Y. Guillaume, Danny E. P. Vanpoucke, Rozita Rouzbahani +5
Hydrogen radical attacks and subsequent hydrogen migrations are considered to play an important role in the atomic-scale mechanisms of diamond chemical vapour deposition growth. We…