Imperial College London

DrPaoloRestuccia

Faculty of Natural SciencesDepartment of Chemistry

Research Associate
 
 
 
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Contact

 

p.restuccia Website

 
 
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Location

 

109Molecular Sciences Research HubWhite City Campus

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Summary

 

Summary

Paolo is a Postdoctoral Research Associate in the Department of Chemistry. He is a member of the Computational Materials Science Group of Prof. Nicholas Harrison. His main activity is the study of corrosion by means of ab initio calculation.

In 2017, he completed cum laude a PhD in "Multiscale modelling of tribological systems: adsorbed monolayer and carbon-based materials" at the University of Modena. The he worked for two years as PostDoc in the Computational Tribology Group in the same University. His main activities concerned the study of layered materials (e.g., graphene and molybdenum disulphide) interacting with metals and passivating species (e.g., water) in order to understand the atomistic processes of friction reduction in these materials. The research was performed with state-of-the-arts computational approaches, namely static and dynamics ab initio simulations, classical Molecular Dynamics and Quantum Mechanics/Molecular Mechanics multi-scale approach.

Publications

Journals

Restuccia P, Ferrario M, Righi MC, 2020, Quantum Mechanics/Molecular Mechanics (QM/MM) applied to tribology: Real-time monitoring of tribochemical reactions of water at graphene edges, Computational Materials Science, Vol:173, ISSN:0927-0256

Restuccia P, Ferrario M, Righi MC, 2020, Monitoring water and oxygen splitting at graphene edges and folds: Insights into the lubricity of graphitic materials, Carbon, Vol:156, ISSN:0008-6223, Pages:93-103

Peeters S, Restuccia P, Loehle S, et al., 2019, Characterization of Molybdenum Dithiocarbamates by First-Principles Calculations, Journal of Physical Chemistry A, Vol:123, ISSN:1089-5639, Pages:7007-7015

Schulzendorf M, Hinaut A, Kisiel M, et al., 2019, Altering the properties of graphene on Cu(111) by intercalation of potassium bromide, Acs Nano, Vol:13, ISSN:1936-0851, Pages:5485-5492

Restuccia P, Righi MC, 2019, Tribochemistry of graphene on iron and its possible role in lubrication of steel (vol 106, pg 118, 2016), Carbon, Vol:141, ISSN:0008-6223, Pages:794-794

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