52 research outputs found
Quest of novel GH20 N-acetyl hexosaminidasetransglycosylating catalysts: functional screening, data mining and semi-rational mutagenesis
Dissociation of two-dimensional excitons in monolayer WSe<sub>2</sub>
In two-dimensional semiconductors excitons are strongly bound, suppressing the creation of free carriers. Here, the authors investigate the main exciton dissociation pathway in p-n junctions of monolayer WSe2 by means of time and spectrally resolved photocurrent measurements
The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals
We introduce the Computational 2D Materials Database (C2DB), which organises
a variety of structural, thermodynamic, elastic, electronic, magnetic, and
optical properties of around 1500 two-dimensional materials distributed over
more than 30 different crystal structures. Material properties are
systematically calculated by state-of-the art density functional theory and
many-body perturbation theory (GW\!_0 and the Bethe-Salpeter Equation
for 200 materials) following a semi-automated workflow for maximal
consistency and transparency. The C2DB is fully open and can be browsed online
or downloaded in its entirety. In this paper, we describe the workflow behind
the database, present an overview of the properties and materials currently
available, and explore trends and correlations in the data. Moreover, we
identify a large number of new potentially synthesisable 2D materials with
interesting properties targeting applications within spintronics,
(opto-)electronics, and plasmonics. The C2DB offers a comprehensive and easily
accessible overview of the rapidly expanding family of 2D materials and forms
an ideal platform for computational modeling and design of new 2D materials and
van der Waals heterostructures.Comment: Add journal reference and DOI; Minor updates to figures and wordin
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Self-rated health and functional capacity in individuals reporting overlapping symptoms of gastroesophageal reflux disease, functional dyspepsia and irritable bowel syndrome - a population based study
The association between psychopathology of first-episode psychosis patients within the schizophrenia spectrum and previous offending
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