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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.

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

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

Map

 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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