Publications

Stefan Peeters, Paolo Restuccia, Sophie Loehl ́e, Benoit Thiebaut, and M. C. Righi Characterization of Molybdenum Dithiocarbamates by First Principles Calculations J. Phys. Chem A, in printing (2019).

M. Schulzendorf, A. Hinaut, M. Kisiel, R. Joehr, R. Pawiak, P. Restuccia, E. Meyer, M. C. Righi, T. Glatzel, Altering the Properties of Graphene on Cu(111) by Intercalation of Potassium Bromide, ACS Nano, 13, 5, 5485 (2019).

G. Fatti, M. C. Righi, D. Dini, and A. Ciniero First-Principles Insights into the Structural and Electronic Properties of Polytetrafluoroethylene in Its High-Pressure Phase (Form III)J. Phys. Chem. C, 123, 6250 (2019).

G. Fatti, P. Restuccia, C. Calandra, M. C. Righi, Phosphorus adsorption on Fe(110): An ab initio comparative study of iron passivation by different adsorbates, Journal of Physical Chemistry C, 122, 49 (2018).

M. Wolloch, G. Levita, P. Restuccia, M. C. Righi, Interfacial Charge Density and Its Connection to Adhesion and Frictional Forces, Physical Review Letters, 121, 2 (2018).

P. Restuccia, G. Levita, M. Wolloch, G. Losi, G. Fatti, M. Ferrario, M. C. Righi, Ideal adhesive and shear strengths of solid interfaces: A high throughput ab initio approach, Computational Materials Science, 154, 517 (2018). 

S. Loehle’, M. C. Righi,Ab Initio Molecular Dynamics Simulation of Tribochemical Reactions Involving Phosphorus Additives at Sliding Iron Interfaces, Lubricants, 6, 2 (2018).

M. C. Righi, Chapter Understanding the Tribochemistry of Lubricant Additives by Ab initio Calculations: The Case of Phosphitesof the bookAdvanced Analytical Methods in Tribology(2018).

G. Levita, S. Kajita, M. C. Righi, Water adsorption on the diamond (111) surfaces: An ab initio study, Carbon, 127, 533 (2017).

S. Loehle, M. C. Righi, First principles study of organophosphorus additives in boundary lubrication conditions: Effects of hydrocarbon chain length, Lubrication Science, 29, 7 (2017).

D. Marchetto, P. Restuccia, A. Ballestrazzi, M. C. Righi, A. Rota, S. Valeri,Surface passivation by graphene in the lubrication of iron: A comparison with bronze, Carbon, 116, 375 (2017).

G. Levita, M. C. Righi,Effects of Water Intercalation and Tribochemistry on MoS2 Lubricity: An Ab Initio Molecular Dynamics Investigation, Chem. Phys. Chem, 18, 11 (2017). Cover picture of the issue.

P. Restuccia, M. Ferrario, P. L. Silvestrelli, G. Mistura and M. C. Righi Size-dependent commensurability and its possible role in determining the frictional behavior of adsorbed systems,Phys. Chem. Chem. Phys., 18, 28997 (2016). (PDF)

P. Restuccia and M. C. Righi Tribochemistry of graphene on iron and its possible role in lubrication of steel,Carbon, 106, 118 (2016). (PDF)

M. C. Righi, S. Loehle, M. I. De Barros Bouchet, S. Mambingo-Doumbe and J. M. Martin A comparative study on the functionality of S- and P-based lubricant additives by combined first principles and experimental analysis,RSC Advances, 6, 47753 (2016).

G. Zilibotti, S. Corni, M. Ferrario, M. C. Righi and C. M. Bertoni First-Principle Molecular Dynamics of Sliding Diamond Surfaces. Tribochemical Reactions with Water and Load Effects,J. Low Temperature Physics, 185, 174 (2016).

S. Kajita and M. C. Righi A fundamental mechanism for carbon-film lubricity identified by means of ab initio molecular dynamicsCarbon, 103, 193 (2016). (PDF)

S. Kajita and M. C. Righi Insights into the tribochemistry of silicon-doped carbon based films by ab initio analysis of water/surface interactions, Tribology Letters, 61, 17 (2016). (PDF)

M. C. Righi, S. Loehle, M. I. de Barros Bouchet, D. Philippon and J. M. Martin Trimethyl-phosphite dissociative adsorption on iron by combined first-principle calculations and XPS experiments, RSC Advances 5, 101162 (2015).

G. Levita, E. Molinari, T. Polcar and M. C. Righi First principles comparative study on interlayer adhesion and shear strength of transition metal dichalcogenides and graphene,Phys. Rev. B, 92, 085434 (2015).

M. I. De Barros-Bouchet, M. C. Righi, D. Philippon, S. Mambingo-Doumbe,  T. Le-Mogne, J. M. Martin and A. Buffet Tribochemistry of phosphorus additives: experiments and first-principles calculations,RSC Advances, 5, 49270 (2015).

M. Pierno, L. Bignardi, M. C. Righi, L. Bruschi, S. Gottardi, M. Stohr, P. Silvestrelli, P. Rudolf and G. Mistura Thermolubricity of Xe monolayers on graphene, Nanoscale, 6, 8062 (2014).

G. Levita, A. Cavaleiro, E. Molinari, T. Polcar, and M. C. Righi Sliding properties of MoS2 layers: Load and interlayer orientation effects, J. Phys. Chem. C, 118, 13809 (2014).

G. Zilibotti, S. Corni and M. C. Righi Load-induced confinement activates diamond lubrication by water,Phys. Rev. Lett., 111, 146101 (2013).

M. Reguzzoni, A. Fasolino, E. Molinari and M. C. Righi Frictional properties of multilayer graphene by ab initio and classical molecular dynamics calculations, 5thWorld Tribology Congress, WTC 1, 744 (2013).

M. Reguzzoni, A. Fasolino, E. Molinari and M. C. Righi Potential energy surface for graphene on graphene: derivation, analytical description, and microscopic interpretation, Phys. Rev. B, 86, 245434 (2012).

M. Reguzzoni, A. Fasolino, E. Molinari and M. C. Righi Friction by shear deformations in multilayer grapheneJ. Phys. Chem. C, 116, 21104 (2012).

M. Reguzzoni and M. C. Righi Size dependence of static friction between solid clusters and substrates, Phys. Rev. B, 85, 201412(R) (2012).

M. I. De Barros-Bouchet, G. Zilibotti, C. Matta, M. C. Righi, L. Vandenbulcke, B. Vacher and J. M. Martin Friction of Diamond in Presence of Water Vapor and Hydrogen Gas. Coupling Gas Phase Lubrication and First Principles Studies, J. Phys. Chem. C, 116, 6966 (2012).

G. Zilibotti, S. Corni and M. C. Righi Formation energy of dangling bonds on hydrogenated diamond surfaces: a first principle study, Phys. Rev. B, 85, 033406 (2012).

G. Zilibotti and M. C. Righi Ab Initio calculation of the adhesion and ideal shear strength of planar diamond interfaces with different atomic structure and hydrogen coverage, Langmuir, 27, 6862 (2011).

G. Zilibotti, M. Ferrario, C. M. Bertoni and M. C. Righi Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces, Computer Physics Communications, 182, 1796 (2011).

O. Manelli, S. Corni, and M. C. Righi Water adsorption on native and hydrogenated diamond (001) surfaces, J. Phys. Chem. C, 114, 7045 (2010).

M. Reguzzoni, M. Ferrario, S. Zapperi, and M. C. Righi Onset of frictional slip by domain nucleation in adsorbed monolayers, Proceedings of the National Accademy of Sciences (PNAS), 107, 1113 (2010).

M. Bertelli, J. Homoth, M. Wenderoth, A. Rizzi, R. G. Ulbrich, M. C. Righi, C. M. Berti, and A. Catellani Atomic and electronic structure of the nonpolar GaN(1-100) surface, Phys. Rev. B, 80, 115324 (2009).

G. Zilibotti, M. C. Righi and M. Ferrario Ab initio study on the surface chemistry and nanotribological properties of passivated diamond surfaces, Phys. Rev. B, 79, 075420 (2009).

M. Rosini, M. C. Righi, P. Kratzer, and R. Magri In adsorption and diffusion on In-ritch (2×4) reconstructed InGaAs surfaces on GaAs(001), AIP conference proceedings, 1199, 21 (2009).

M. Rosini, M. C. Righi, P. Kratzer, and R. Magri Indium surface diffusion on InAs (2×4) reconstructed wetting layers on GaAs(001), Phys. Rev. B, 79, 075302 (2009).

M. C. Righi and M. Ferrario Pressure induced friction collapse of rare gas boundary layers sliding over metal surfaces, Phys. Rev. Lett., 99, 176101 (2007).

M. Bertelli, J. Homoth, M. Wenderoth, A. Rizzi, R. G. Ulbrich, M. C. Righi, C. M. Bertoni, and A. Catellani Atomic and electronic structure of the cleaved 6H-SiC(11-20) surface, Phys. Rev. B, 75, 165312 (2007).

M. C. Righi and M. Ferrario Potential energy surface for rare gases adsorbed on Cu(111): Parametrization of the gas/surface interaction potential, J. Phys. Condens. Matter, 19, 305008 (2007).

M. C. Righi, Rita Magri and C. M. Bertoni Study of arsenic for antimony exchange at the Sb-stabilized GaSb(001) surface, Applied Surface Science, 252, 5271 (2006).

M. C. Righi, C. A. Pignedoli, R. Di Felice, A. Catellani and C. M. Bertoni Combined ab initio and kinetic Monte Carlo simulations of C diffusion on the root(3)xroot(3) b-SiC(111) surface, Phys. Rev. B, 71, 075303 (2005).

D. Ceresoli, M. C. Righi, E. Tosatti, S. Scandolo, G. Santoro and S. Serra Exciton self-trapping in bulk polyethylene, Journal of Physics: Cond. Matter, 17, 4621 (2005).

A. Catellani, G. Cicero, M. C. Righi and C. A. Pignedoli First principles simulation of SiC-based interfaces, Magnetic Resonance and Related Phenomena, 541, 483 (2005).

M. C. Righi, Rita Magri, and C. M. Bertoni First-principles study of Sb-stabilized GaSb(001) surface reconstructions, Phys. Rev. B, 71, 075323 (2005).

M. C. Righi, C. A. Pignedoli, R. Di Felice, C. M. Bertoni and A. Catellani Kinetic MonteCarlo simulations of C diffusion on root(3)xroot(3) beta-SiC (111) based on ab-initio calculations, Computer Physics Comm., 169, 50 (2005).

M. C. Righi, C. A. Pignedoli, R. Di Felice, C. M. Bertoni and A. Catellani Ab initio simulation of homoepitaxial SiC growth, Phys. Rev. Lett., 91, 136101 (2003).

M. C. Righi, C. A. Pignedoli, G. Borghi, R. Di Felice, C. M. Bertoni and A. Catellani Surface Induced Stacking Transition at SiC(0001), Phys. Rev. B, 66, 045320 (2002).

S. Serra, S. Iarlori, E. Tosatti, S. Scandolo, M. C. Righi and G.E. Santoro Self-trapping vs. non-trapping of Electrons and Holes in Organic Insulators: Polyethylene, Chemical Physics Letters, 360, 487 (2002).

D. Ceresoli, M. C. Righi, E. Tosatti, S. Scandolo, G. Santoro and S. Serra, Electron-hole Trapping and Self-Trapping in Polyethylene, “Festschrift in Honor of F. Bassani“, ed. by G. Grosso, G. Larocca and M.P. Tosi, Scuola Normale Superiore, Pisa, (2001).

M. C. Righi, S. Scandolo, S. Serra, S. Iarlori, E. Tosatti and G. E. Santoro Surface States and Negative Electron Affinity in Polyethylene, Phys. Rev. Lett., 87, 076802 (2001).