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GRAFLEX SIGNED

Graphene curvature, flexibility and reactivity control by means of external fields: theory and computer simulations

Total Cost €

0

EC-Contrib. €

0

Partnership

0

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 GRAFLEX project word cloud

Explore the words cloud of the GRAFLEX project. It provides you a very rough idea of what is the project "GRAFLEX" about.

engineering    dynamics    observe    shown    time    possibility    europe    extensive    df    reversible    graflex    traveling    investigation    train    relevance    emf    guarantee    chemical    initio    biomed    physis    vibrations    carrier    local    resume    nest    theoretical    sorption    harvesting    functional    modulation    reactivity    feasibility    position    gradient    gained    curvature    trajectory    graphene    complementarity    connected    conversion    expertise    theories    chemistry    perturbation    sized    attractive    external    curved    electromagnetic    independent    thz    resolved    storage    correspond    producing    functionalization    electric    chemi    nano    ripples    tech    strain    energy    dependent    consequent    flexoelectricity    attain    density    flexibility    conducting    calculation    interaction    group    coherent    quantum    bio    break    kinetics    enhancement    dynamical    chosen    material    academia    frequencies    proponent    found    electronic    combination    ab    simulations    hydrogen   

Project "GRAFLEX" data sheet

The following table provides information about the project.

Coordinator
CONSIGLIO NAZIONALE DELLE RICERCHE 

Organization address
address: PIAZZALE ALDO MORO 7
city: ROMA
postcode: 185
website: www.cnr.it

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Italy [IT]
 Project website http://www.muscade-lab.it/research/graphene
 Total cost 180˙277 €
 EC max contribution 180˙277 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2014
 Funding Scheme MSCA-IF-EF-CAR
 Starting year 2015
 Duration (year-month-day) from 2015-09-08   to  2017-09-07

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    CONSIGLIO NAZIONALE DELLE RICERCHE IT (ROMA) coordinator 180˙277.00

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 Project objective

Graphene is a unique material with high potential for applications from high-tech to bio-tech. These capabilities are directly connected to graphene flexibility and electronic properties, as well as to the possibility of controlling them by chemical functionalization. Curvature related reactivity enhancement was shown, and curvature control has found several possible applications from H-storage and energy harvesting to biomed engineering. Thus, the control of graphene curvature is of high relevance. The aim of GRAFLEX is to investigate the process of curvature control by means of external electric- and electromagnetic fields (EMF), and the consequent curvature-dependent interaction with H, specifically focusing on the physis- to chemi-sorption reversible conversion. EMF in the range of THz will be chosen, since coherent graphene vibrations at those frequencies correspond to the traveling nano-sized ripples producing a local dynamical modulation of the curvature. To achieve this, we propose to use a state-of-the-art density functional (DF), DF perturbation, and trajectory based time dependent DF theories in combination with ab initio investigation of the kinetics and calculation of flexoelectricity response to the strain gradient in curved graphene. Conducting the proposed research after carrier break will help the proponent to resume research activities and to train in 1)using the most advanced theoretical methods to investigate properties in graphene/hydrogen system; 2)observe time-resolved information to exploit curvature control process. The complementarity expertise of researchers at NANO@NEST group of multi-scale simulations and proponent’s extensive experience trajectory based chemical dynamics, kinetics and quantum chemistry, together with attractive working conditions, guarantee the feasibility of this challenging project. The experience gained by the proponent within GRAFLEX will change her carrier path to attain an independent position in academia in Europe

 Publications

year authors and title journal last update
List of publications.
2016 K Kakhiani and V Tozzini
Morphing Graphene
published pages: 86, ISSN: , DOI:
PLATINUM – Aziende e Protagonisti, Special Issue Research&Innovation November 2019-06-13

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