Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Organically interconnected graphene flakes: A flexible 3-D material with tunable electronic bandgap
Δημιουργός/Συγγραφέας:	[EL] Κλώντζας, Εμμανουήλ[EN] Klontzas, Emmanuel Tylianakis E. Varshney V. Roy A.K. Froudakis G.E.
Εκδότης:	Nature Publishing Group
Ημερομηνία:	2019
Γλώσσα:	Αγγλικά
ISSN:	2045-2322
DOI:	10.1038/s41598-019-50037-y
Άλλο:	PubMed ID: 31548554
Περίληψη:	The structural and electronic properties of molecularly pillared graphene sheets were explored by performing Density Functional based Tight Binding calculations. Several different architectures were generated by varying the density of the pillars, the chemical composition of the organic molecule acting as a pillar and the pillar distribution. Our results show that by changing the pillars density and distribution we can tune the band gap transforming graphene from metallic to semiconducting in a continuous way. In addition, the chemical composition of the pillars affects the band gap in a lesser extent by introducing additional states in the valence or the conduction band and can act as a fine band gap tuning. These unique electronic properties controlled by design, makes Mollecular Pillared Graphene an excellent material for flexible electronics.
Τίτλος πηγής δημοσίευσης:	Scientific Reports
Τόμος/Κεφάλαιο:	9
Τεύχος:	1
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2019, The Author(s).
Όροι και προϋποθέσεις δικαιωμάτων:	All Open Access, Gold, Green
Σημειώσεις:	FA9550-15-1-0291; 2016-050-0503-8189; Seattle Science Foundation, SSF; European Commission, EC; State Scholarships Foundation, IKY; General Secretariat for Research and Technology, GSRT: 1536; Hellenic Foundation for Research and Innovation, HFRI E.K. was funded by State Scholarships Foundation (SSF) and co-financed by the European Union (European Social Fund-ESF) and Greek national funds through the action entitled”Reinforcement of Postdoctoral Researchers”, in the framework of the Operational Programme”Human Resources Development Program, Education and Lifelong Learning” of the National Strategic Reference Framework (NSRF) 2014–2020 (Grant Number is 2016-050-0503-8189). G.E. Froudakis acknowledge funding from “AFOSR/EOARD (Grant Number FA9550-15-1-0291). Funding from Hellenic Foundation for Research and Innovation (HFRI) and the General Secretariat for Research and Technology (GSRT) under grand agreement No 1536 is also acknowledged. The Data Center of the University of Crete is gratefully acknowledged for providing us access to HPC facilities.
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο