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- European Organization for Nuclear ResearchCH78 papers
- Foundation for Research and Technology HellasGR60 papers
- Aristotle University of ThessalonikiGR51 papers
- National Technical University of AthensGR47 papers
- National Centre of Scientific Research "Demokritos"GR45 papers
- Centre National de la Recherche ScientifiqueFR43 papers
- Computer Technology Institute and Press “DIOPHANTUS”GR41 papers
- National Observatory of AthensGR40 papers
- Institute for Nuclear ResearchRU32 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR31 papers
- Universidad de ZaragozaES31 papers
- Technische Universität DarmstadtDE27 papers
87 papers · 1 filter
First-principles prediction of energy band gaps in 18-valence electron semiconducting half-Heusler compounds: Exploring the role of exchange and correlation
Emel Gurbuz, Murat Tas, Ersoy Sasioglu +3
The choice of exchange functional is a critical factor in determining the energy bandgap of semiconductors. Ab initio calculations using different exchange functionals, including t…
Biaxial strain tuning of exciton energy and polarization in monolayer WS2
G. Kourmoulakis, A. Michail, I. Paradisanos +8
We perform micro-photoluminescence and Raman experiments to examine the impact of biaxial tensile strain on the optical properties of WS2 monolayers. A strong shift on the order of…
Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper during Chemical Vapor Deposition
Valentina Rein, Hao Gao, Hendrik H. Heenen +10
In recent years, liquid metal catalysts have emerged as a compelling choice for the controllable, large-scale, and high-quality synthesis of two-dimensional materials. At present,…
Crystalline Phase Effects on the Nonlinear Optical Response of MoS2 and WS2 Nanosheets
Michalis Stavrou, Nikolaos Chazapis, Eleni Nikoli +3
In the present work, some MoS2 and WS2 nanosheets were prepared and characterized. Depending on the preparation procedures, trigonal prismatic (2H) or octahedral (1T) coordination…
Mesoscopic modeling and experimental validation of thermal and mechanical properties of polypropylene nanocomposites reinforced by graphene-based fillers
Atta Muhammad, Rajat Srivastava, Nikos Koutroumanis +7
The development of nanocomposites relies on structure-property relations, which necessitate multiscale modeling approaches. This study presents a modelling framework that exploits…
Ab-initio calculation of the Hubbard and Hund exchange in local moment magnets: The case of Mn-based full Heusler compounds
M. Tas, E. Sasioglu, S. Blugel +2
Mn-based full Heusler compounds possess well-defined local atomic Mn moments, and thus the correlation effects between localized d electrons are expected to play an important role…