2.4k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- 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…
Determination of the elastic moduli of CVD graphene by probing graphene/polymer Bragg stacks
Bohai Liu, Christos Pavlou, Zuyuan Wang +3
Graphene has been widely used in the form of micro-flakes to fabricate composite materials with enhanced mechanical properties. Due to the small size of the inclusions and their ra…
Prediction of half-metallicity and spin-gapless semiconducting behavior in the new series of FeCr-based quaternary Heusler alloys: an ab initio study
Ramesh Dhakal, Sashi Nepal, Iosif Galanakis +2
This paper presents a detailed investigation of FeCr-based quaternary Heusler alloys. By using ultrasoft pseudopotential, electronic and magnetic properties of the compounds are st…
Interfacial Piezoelectric Polarization Locking in Printable TiCT MXene-Fluoropolymer Composites
Nick A. Shepelin, Peter C. Sherrell, Emmanuel N. Skountzos +9
Piezoelectric fluoropolymers convert mechanical energy to electricity and are ideal for sustainably providing power to electronic devices. To convert mechanical energy, a net polar…
Ab initio study of the half-metallic full-Heusler compounds CoZAl [Z = Sc, Ti, V, Cr, Mn, Fe]; the role of electronic correlations
Sashi Nepal, Ramesh Dhakal, Iosif Galanakis
We study the structural, electronic, and magnetic properties of CoZAl compounds employing a pseudopotential electronic bandstructure method. The stability of the compounds is e…
Functional surfaces of laser-microstructured silicon coated with thermoresponsive PS/PNIPAM polymer blends: switching reversibly between hydrophilicity and hydrophobicity
Maria Kanidi, Aristeidis Papagiannopoulos, Andreea Matei +3
We developed functional surfaces of laser-microstructured silicon coated with blends of polystyrene (PS) and poly(N-isopropylacrylamide) (PNIPAM) and we study their switching wetti…
Enhancing the Adhesion of Graphene to Polymer Substrates by Controlled Defect Formation
George Anagnostopoulos, Labrini Sygellou, George Paterakis +3
The mechanical integrity of composite materials depends primarily on the interface strength and the defect density of the reinforcement which is the provider of enhanced strength a…
Tunable macroscale structural superlubricity in two-layer graphene via strain engineering
Charalampos Androulidakis, Emmanuel N. Koukaras, George Paterakis +2
Achieving structural superlubricity in graphitic samples of macro-scale size is particularly challenging due to difficulties in sliding large contact areas of commensurate stacking…
Ab initio design of quaternary Heusler compounds for reconfigurable magnetic tunnel diodes and transistors
T. Aull, E. Şaşıoğlu, I. V. Maznichenko +4
Reconfigurable magnetic tunnel diodes and transistors are a new concept in spintronics. The realization of such a device requires the use of materials with unique spin-dependent el…
Probing Molecular Ordering in the Nematic Phases of para-Linked Bimesogen Dimers through NMR Studies of Flexible Prochiral Solutes
Leah M. Heist, Edward T. Samulski, Chris Welch +4
The quadrupolar splittings of perdeuteriated n-decane dissolved in nematic phases formed by mesogenic dimers of the CBnCB series, for n=7,9,10,11 are measured throughout the entire…
Excitons in InP, GaP, GaInP quantum dots: Insights from time-dependent density functional theory
Xiaoyu Ma, Jingjing Min, Zaiping Zeng +4
Colloidal quantum dots (QDs) of group III-V are considered as promising candidates for next-generation environmentally friendly light emitting devices, yet there appears to be only…
Production and mechanical characterization of graphene micro-ribbons
Maria Giovanna Pastore Carbone, Georgia Tsoukleri, Anastasios C. Manikas +3
Patterning of graphene into micro- and nano-ribbons allows for the tunability in emerging fields such as flexible electronic and optoelectronic devices, and is gaining interest for…
Metal to insulator transition in Conducting Polyaniline/Graphene Oxide composites
Eleni Neti, Elias Sakellis, Anthony N. Papathanassiou +2
Broadband Dielectric Spectroscopy (BDS) measurements of Pοlyaniline/Graphene oxide composites were conducted for an as-prepared and a thermally annealed specimen, respectively, fro…
Mosaic pattern formation in exfoliated graphene by mechanical deformation
Maria Giovanna Pastore Carbone, Anastasios C. Manikas, Ioanna Souli +2
Graphene is susceptible to morphological instabilities such as wrinkles and folds, which result from the imposition of thermo-mechanical stresses upon cooling from high temperature…
Non-Eulerian behavior of graphitic materials under compression
Charalampos Androulidakis, Emmanuel N. Koukaras, Maria Hadjinicolaou +1
The mechanical behavior of graphitic materials is greatly affected by the weak interlayer bonding with van der Waals forces for a range of thickness from nano to macroscale. Herein…
Uniaxial Compression of Suspended Single and Multilayer graphenes
A. P. Sgouros, G. Kalosakas, C. Galiotis +1
The mechanical response of single and multiple graphene sheets under uniaxial compressive loads was studied with molecular dynamics simulations, using different semi-empirical forc…
Compression behavior of simply-supported and fully embedded monolayer graphene: theory and experiment
Emmanuel N. Koukaras, Charalampos Androulidakis, George Anagnostopoulos +2
Single layer graphene simply-supported on a polymer substrate was subjected to axial compression and its behavior upon loading was monitored with laser Raman spectroscopy (LRS). Th…
Optical detection of strain and doping inhomogenieties in single layer MoS2
Antonios Michail, Nick Delikoukos, John Parthenios +2
Van der Waals single-layer materials are characterized by an inherent extremely low bending rigidity and therefore are prone to nanoscale structural modifications due to substrate…
Structural, electronic and magnetic properties of the Manganese telluride layers AMnTe2 (A=K, Rb, Cs) from first-principles calculations
A. Benmakhlouf, Y. Bourourou, A. Bouhemadou +5
Using first-principles electronic structure calculations based on density functional theory (DFT), we investigate the structural, electronic and magnetic properties of the layered…