{"id":20,"date":"2016-05-09T16:22:28","date_gmt":"2016-05-09T15:22:28","guid":{"rendered":"http:\/\/www.tribchem.it\/?page_id=20"},"modified":"2026-04-21T07:08:04","modified_gmt":"2026-04-21T07:08:04","slug":"publications","status":"publish","type":"page","link":"https:\/\/tribchem.it\/?page_id=20","title":{"rendered":"Publications"},"content":{"rendered":"\t\t
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[134] V. Foder\u00e0, I. Giarnieri, A. Bertuzzi, F. Ospitali, Phuoc H. Ho, P. Benito, M.C. Righi, A comparative experimental and first principles study of methane decomposition on Fe-based and Ni-based catalysts for H2 and CNTs production<\/em><\/span><\/a>, Carbon<\/strong> 254, 121471(2026) (PDF<\/a>).<\/p>\n

–<\/span><\/p>\n

[133] P. Restuccia, E. Pedretti, F. Benini, S. Loehl\u00e9, M.C. Righi, Phosphorus-based lubricant additives on iron with Machine Learning Interatomic Potentials<\/em><\/span><\/a>, Applied Surface Science <\/strong> 733, 166599 (2026) (PDF<\/a>).<\/p>\n

–<\/span><\/p>\n

[132] M. Vezzelli, C. Gachot, M.C. Righi, Adhesion Energy of Phosphorene on Different Pristine and Oxidized Metallic Substrates<\/em><\/span><\/a>, arXiv:2512.21265<\/strong>, (2025) (PDF<\/a>).<\/p>\n

–<\/span><\/p>\n

[131] A. Pacini, S. Kajita, G. Losi, M.C. Righi, Velocity dependence of kinetic friction by multi-scale Quantum Mechanics\/Green’s Function molecular dynamics<\/em><\/span><\/a>, arXiv:2511.19222<\/strong>, (2025) (PDF<\/a>).<\/p>\n

–<\/span><\/p>\n

[130] E Pedretti, F Benini, G Gravili, MC Righi, Unraveling the Pathways of Tribochemical Reactions Involving the ZDDP Lubricant Additive by Machine-Learning-Informed Molecular Dynamics<\/em><\/span><\/a>, 10.6092\/unibo\/amsacta\/8604<\/strong>, (2025) (PDF<\/a>).<\/p>\n

–<\/span><\/p>\n

[129] F. Benini, P. Restuccia, S. Loehl\u00e9, Q. Arnoux, and M.C. Righi, Combined ab initio and experimental study of phosphorus-based anti-wear additives interacting with iron and iron oxide<\/em><\/span><\/a>, ArXiv:2510.25620<\/strong>, (2026) (PDF<\/a>).<\/p>\n

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[128] T. Omiya, E. Pedretti, P. Sharma, A. Cavaleiro, A.C. Serra, J.F.J. Coelho, M.C. Righi, and F. Ferreira, Comparative analysis of the lubrication performance of functionalized copolymers interacting with silicon, cobalt, and silver doped diamond-like carbon<\/em><\/span><\/a>, ArXiv:2510.24646<\/strong>, (2026) (PDF<\/a>).<\/p>\n

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[127] L. Berghenti, E. Damiani, M. Marsili, and M.C. Righi, fair_data.py: implementing FAIR data compliance in Tribchem<\/em><\/span>><\/a>, ArXiv:2510.23394<\/strong>, (2026) (PDF<\/a>).<\/p>\n

–<\/span><\/p>\n

[126] E. Damiani, M. Marsili, and M.C. Righi, Predicting the adhesion and delamination strength of carbon films on metals by high-throughput ab initio calculations<\/em><\/a><\/span>, Carbon<\/strong> 250, 121270 (2026) (PDF<\/a><\/span>).<\/span><\/p>\n

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[125] L. Berghenti, M. Marsili, and M.C. Righi, On the surface energy of the Cantor alloy and its relation with surface composition<\/em><\/a><\/span>, Applied Surface Science<\/strong> 718, 164848 (2026) (PDF<\/span><\/a>).<\/p>\n

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[124] T. Omiya, E. Pedretti, M. Evaristo, P. Sharma, S. Inocencio, A. Cavaleiro, A.C. Serra, J.F.J. Coelho, M.C. Righi, and F. Ferreira, Amine- and hydroxyl-functionalized copolymers as lubricant additives on Si-doped DLC: A comparative experimental and computational study of their tribological performance<\/em><\/span><\/a>, Applied Surface Science<\/strong> 715, 164586 (2026) (PDF<\/a><\/span>).<\/span><\/p>\n

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[123] A. Muthuperiyanayagam, E. Pedretti, M.C. Righi, and D. Di Tommaso, Optimized selectivity in CO2 electrochemical reduction using amorphous CuNi catalysts: insights from density functional theory and machine learning simulations<\/em><\/span><\/a>, Journal of Energy Chemistry<\/strong> 112, (2026) (PDF<\/span><\/a>).<\/span><\/p>\n

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[122] P. G. Gr\u00fctzmacher, A. A. Voevodin, A. Kor\u00e9nyi-Both, A. Kor\u00e9nyi-Both, M.C. Righi, C. Della Corte, N. Bagcivan, A. Erdemir, and C. Gachot The Promise of Solid Lubricants for a Sustainable Future<\/em><\/a><\/span>, Advanced Materials<\/strong> 38, e00867 (2026) (PDF<\/a><\/span>).<\/p>\n

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[121] J. Qi, G. Materzanini, G.M. Rignanese, M.C. Righi, and J. Wang, Interlayer Electron Redistribution Engineering for Ultralow Friction in 2D Electrides<\/span><\/em><\/a>, Advanced Functional Materials<\/strong> 36, 26 (2026) (PDF<\/span><\/a>).<\/p>\n

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[120] T. Omiya, E. Pedretti, A. Cavaleiro, R. Gouttebaron, A. Felten, A.C. Serra, J.F.J. Coelho, M.C. Righi, and F. Ferreira, Elucidating the composition and formation mechanism of slippery films from block copolymers on doped diamond-like carbon surfaces<\/span><\/em><\/a>, Applied Surface Science<\/strong> 707, 121270 (2025) (PDF<\/a><\/span>).<\/span><\/p>\n

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[119] E. Marquis, D. Lizama, R. Espinoza-Gonzalez, A. Rosenkranz, and M.C. Righi, MXene-substrate adhesion – Towards more efficient and durable coatings<\/span><\/em><\/a>, Materials Today Nano<\/strong> 32, 100705 (2025) (PDF<\/a><\/span>).<\/p>\n

–<\/span><\/p>\n

[118] T. Omiya, E. Pedretti, A. Cavaleiro, M.C. Righi, and F. Ferreira, Elucidating the composition and formation mechanism of slippery films from block copolymers on doped diamond-like carbon surfaces<\/span><\/em><\/a>, Applied Surface Science<\/strong> 707, 163599 (2025) (PDF<\/span><\/a>).<\/p>\n

–<\/span><\/p>\n

[117] C. Leriche, E. Pedretti, O. Sahin, D. Kang, M.C. Righi, and B. Weber, Passivation Species Suppress Atom-by-Atom Wear of Microcrystalline Diamond<\/span><\/em><\/a>, ACS Applied Materials & Interfaces<\/strong> 17, 55511 (2025) (PDF<\/span><\/a>).<\/p>\n

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[116] P.L. Silvestrelli, S. Subashchandrabose, A. Ambrosetti, and M.C. Righi, Sliding properties of transition metal dichalcogenide bilayers<\/span><\/em><\/a>, Journal of Chemical Physics<\/strong> 163, 084709 (2025) (PDF<\/span><\/a>).<\/p>\n

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[115] M. Montebelli, P. Restuccia, and M.C. Righi, Predicting paint resistance to pull-off by first principles calculations: The case of acrylic acid on (oxidised) metals<\/em><\/a><\/span>, Materials & Deisgn<\/strong> 259, 114898 (2025) (PDF<\/span><\/a>).<\/span><\/p>\n

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[114] S. Giaremis, H.T.T. Ta, M. Ferrario, and M.C. Righi, Tribological Properties of Diamond-Silica Interfaces: Effects of surface termination, orientation and boron doping<\/em><\/span><\/a>, Diamond and Related Materials <\/strong>159A, 112726 (2025) (PDF<\/a><\/span>).<\/p>\n

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[113] A. Rosenkranz, M. Soler, G. Boidi, B. Ronai, M. Varga, F. Pineda, and M.C. Righi, Physical and chemical approaches to tailor 2D coating\/substrate adhesion – Experimental and theoretical insights<\/em><\/span><\/a>, Advances in Colloid and Interface Science<\/strong> 345, 103631 (2025) (PDF<\/span><\/a>).<\/p>\n

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[112] I. Giarnieri, A.D. Bobitan, V. Foder\u00e0, E. Gioria, L. Costley-Wood, A. Bertuzzi, F. Ospitali, G. Fornasari, C.D. Damsgaard, S.D.M. Jacques, M.C. Righi, A.M. Beale, and P. Benito, Methane splitting to hydrogen and base growth carbon nanotubes over Fe-based catalysts<\/em><\/span><\/a>, Applied Catalysis B: Environment and Energy<\/strong> 379, 125707 (2025) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[111] T. Omiya, A. Welle, M. Evaristo, P. Sharma, A. Cavaleiro, A.C. Serra, J.F.J. Coelho, M.C. Righi, and F. Ferreira, Polymer derived tribofilm on silicon-doped diamond-like carbon coatings<\/em><\/span><\/a>, Applied Surface Science<\/strong> 712, 164200 (2025) (PDF<\/span><\/a>).<\/span><\/p>\n

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[110] F. Benini, P. Restuccia, E. Pedretti, and M.C. Righi, Ab Initio Insights into Zinc Dialkyldithiophosphate Linkage Isomers and Oxidative Degradation: Implications for Tribology<\/em><\/span><\/a>, ACS Applied Nano Materials<\/strong> 8, 14103 (2025) (PDF<\/span><\/a>).<\/span><\/p>\n

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[109] A. Pacini, M. Ferrario, and M.C. Righi, Accelerating Data Set Population for Training Machine Learning Potentials with Automated System Generation and Strategic Sampling<\/em><\/span><\/a>, Journal of Chemical Theory and Computation<\/strong> 21, 7102 (2025) (PDF<\/a><\/span>).<\/span><\/p>\n

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[108] Y. Long, J.M. Martin, F. Dubreuil, B. Thiebaut, S. Loehl\u00e9, H.T.T. Ta, M. Ferrario, M.C. Righi, and M.I. De Barros Bouchet, Reducing friction and wear with alkyl gallate additives in water-based lubricants<\/em><\/span><\/span>,<\/a> Materials Today Nano<\/strong> 30,\u00a0100629 (2025) (<\/span>PDF<\/a>)<\/span>.<\/span><\/p>\n

–<\/span><\/p>\n

[107] H.T.T. Ta, M. Ferrario, S. Loehl\u00e9, and M.C. Righi, Probing additives for green lubricants with the aid of machine learning molecular dynamics: The case of gallate molecules for aqueous solutions<\/em><\/a><\/span>, Applied Surface Science<\/strong> 695, 162836 (2025) (PDF<\/a><\/span>).<\/span><\/p>\n

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[106] S. Giaremis, and M.C. Righi, Exploring atomistic wear mechanisms in B-doped diamond surfaces via ab initio calculations<\/em><\/span><\/a>, Tribology International<\/strong> 204, 110438 (2025) (PDF<\/a><\/span>).<\/span><\/p>\n

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[105] H. Li, X. Sui, P. Ayala, E. Marquis, H. Rabl, A. Ertl, P. Bilotto, Y. Shang, J. Li, L. Xu, M.C. Righi, D. Eder, and C. Gachot, Advanced Solid Lubrication with COK-47: Mechanistic Insights on the Role of Water and Performance Evaluation<\/em><\/span><\/a>, Advanced Science<\/strong> 12, 2415268 (2025) (PDF<\/a><\/span>).<\/span><\/p>\n

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[104] P.G. Gr\u00fctzmacher, A. Majed, E. Marquis, X. Sui, M.C. Righi, M. Sauer, A. Foelske, M. Naguib, and C. Gachot, Transition metal carbo chalcogenides: A novel family of 2D solid lubricants<\/em><\/a><\/span>, Carbon<\/strong> 231, 119695 (2025) (PDF<\/a><\/span>).<\/span><\/p>\n

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[103] M. Vezzelli, M. Rodr\u00edguez Ripoll, S. Schwarz, A. Erdemir, M.C. Righi, and C. Gachot, A Different Perspective on the Solid Lubrication Performance of Black Phosphorous: Friend or Foe?<\/em><\/a><\/span>, Published in Advanced Engineering Materials<\/strong> 27, 2401756 (2025) (PDF<\/a><\/span>).<\/span><\/p>\n

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[102] T. Omiya, E. Pedretti, M. Evaristo, A. Cavaleiro , A.C. Serra, J.F.J. Coelho, F. Ferreira, and M.C. Righi, Synergistic effects of nitrogen-containing functionalized copolymer and silicon-doped DLC for friction and wear reduction<\/em><\/a><\/span>, Tribology International<\/strong> 200, 110183 (2024) (PDF<\/a><\/span>).
<\/span><\/p>\n

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[101] E. Damiani, M. Marsili, and M.C. Righi, Tuning the adhesion of diamond\/copper interfaces through surface chemical modifications and reconstruction<\/span><\/span><\/em><\/a>, <\/span>Carbon<\/strong> 230, 119555 (2024) (PDF<\/a><\/span>).
<\/span><\/p>\n

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[100] A. Pacini, M. Ferrario, S. Loehl\u00e9, and M.C. Righi, Advancing tribological simulations of carbon-based lubricants with active learning and machine learning molecular dynamics<\/em><\/span><\/a>, The European Physical Journal Plus<\/strong> 139, 549 (2024) (PDF<\/span><\/a>).<\/span><\/p>\n

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[99] Y. Long, A. Pacini, M. Ferrario, N. Van Tran, S. Peeters, B. Thiebaut, S. Loehl\u00e9, J.M. Martin, M.C. Righi, and M.I. De Barros Bouchet, Superlubricity from mechanochemically activated aromatic molecules of natural origin: A new concept for green lubrication<\/em><\/a><\/span>, Carbon<\/strong> 228, 119365 (2024) (PDF<\/a><\/span>).<\/span><\/p>\n

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[98] H.T.T. Ta, M. Ferrario, S. Loehl\u00e9, and M.C. Righi, Ab initio Informed Machine Learning Potential for Tribochemistry and Mechanochemistry: Application for Eco\u2013friendly Gallate Lubricant Additive<\/em><\/a><\/span>, Computational Materials Today<\/strong> 1, 100005 (2024) (PDF<\/a><\/span>).<\/span><\/p>\n

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[97] G. Boidi, B. Ronai, D. Heift, F. Benini, M. Varga, M.C. Righi, A. Rosenkranz, Tribology of 2D Black Phosphorus \u2013 Current State-of-the-Art and Future Potential<\/em><\/a><\/span>,<\/span>\u00a0Advances in Colloid and Interface Science<\/strong> 328, 103180\u00a0(2024).<\/span><\/p>\n

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[96] E. Poli, M. Cutini, M.A. Nosir, O. Chehaimi, and M.C. Righi, Effects of surface chemical modifications on the adhesion of metallic interfaces. An high-throughput analysis<\/em><\/a><\/span>, Applied Surface Science <\/strong>664, 160177\u00a0(2024) (PDF<\/span><\/a>).<\/span><\/p>\n

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[95] G. Boidi, D. Zambrano, S. Schwarz, E. Marquis, M. Varga, M. Rodr\u00edguez Ripoll, E. Badisch, M.C. Righi, C. Gachot, P.G. Grtzmacher, and A. Rosenkranz, Solid lubrication performance of hybrid Ti3<\/sub>C2<\/sub>Tx<\/sub>\/MoS2<\/sub> coatings<\/em><\/a><\/span><\/span>, Carbon<\/strong> 225, 119067 (2024).<\/span><\/p>\n

–<\/span><\/p>\n

[94] S. Giaremis, and M.C. Righi, Tuning the adsorption of H2<\/sub>O, H2<\/sub> and O2<\/sub> molecules on diamond surfaces by B-doping<\/em><\/a><\/span>, Surfaces and Interfaces<\/strong> 46, 104105 (2024) (PDF<\/a><\/span>).<\/span><\/p>\n

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[93] A. Rosenkranz, B. Wang, D. Zambrano, J. Marqu\u00e9s Henr\u00edquez, J.Y. Aguilar-Hurtado, E. Marquis, P. Restuccia, B.C. Wyatt, M.C. Righi, and B. Anasori, Solid-Lubrication performance of Ti3<\/sub>C2<\/sub>Tx<\/sub> \u2014 effect of tribo-chemistry and exfoliation<\/em><\/a><\/span>, Materials Today Nano<\/strong> 25, 100464 (2024) (PDF<\/span><\/a>).<\/span><\/p>\n

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[92] Y. Guan, E. Marquis, M.C. Righi, J. Galipaud, F. Dubreuil, J. Dufils, E. Macron, F. Dassenoy, M.I. De Barros Bouchet, Friction control by load-induced structure modification of overbased detergent in fully formulated lubricant<\/em><\/a><\/span>, Tribology International<\/strong> 192, 109307 (2024) (PDF<\/a><\/span>).<\/span><\/p>\n

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[91] H.T.T. Ta, N.V. Tran, and M.C. Righi, Atomistic Wear Mechanisms in Diamond: Effects of Surface Orientation, Stress, and Interaction with Adsorbed Molecules<\/em><\/a><\/span>, Langmuir<\/strong> 39, 14396 (2023) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[90] F. Benini, P. Restuccia, and M.C. Righi, Zinc dialkyldithiophosphates adsorption and dissociation on ferrous substrates: An ab initio study<\/em><\/a><\/span>, Applied Surface Science<\/strong> 642, 158419 (2023) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[89] H.T.T. Ta, N.V. Tran, and M.C. Righi, Nanotribological Properties of Oxidized Diamond\/Silica Interfaces: Insights into the Atomistic Mechanisms of Wear and Friction by Ab Initio Molecular Dynamics Simulations<\/em><\/a><\/span>, ACS Applied Nano Materials<\/strong> 6, 16674 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

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[88] P.G. Gr\u00fctzmacher, M. Cutini, E. Marquis, M. Rodr\u00edguez Ripoll, H. Riedl, P. Kutrowatz, S. Bug, C.J. Hsu, J. Bernardi, C. Gachot, A. Erdemir, and M.C. Righi, Se Nano-Powder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions<\/em><\/a><\/span>, Advanced Materials<\/strong> 35, 2302076 (2023) (PDF<\/a><\/span>).<\/span><\/p>\n

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[87] G. Losi, O. Chehaimi, and M.C. Righi, TribChem: a Software for the First-principles, High-Throughput Study of Solid Interfaces and their Tribological properties<\/em><\/a><\/span>, Journal of Chemical Theory and Computation<\/strong> 19, 5231 (2023) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[86] S. Kajita, A. Pacini, G. Losi, N. Kikkawa, and M.C. Righi, Accurate multiscale simulation of frictional interfaces by Quantum Mechanics\/Green\u2019s Function molecular dynamics<\/em><\/a><\/span>, Journal of Chemical Theory and Computation<\/strong> 19, 5176 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

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[85] E. Pedretti, P. Restuccia, and M.C. Righi, Xsorb: a software for identifying the most stable adsorption configuration and energy of a molecule on a crystal surface<\/em><\/a><\/span>, Computer Physics Communications<\/strong> 291, 108827 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

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[84] A. Ciniero, G. Fatti, M. Marsili, D. Dini, and M.C. Righi, <\/span>Defects drive the tribocharging strength of PTFE: an ab-initio study<\/em><\/span><\/span><\/a>, Nano Energy<\/strong> 112, 108502 (2023) (PDF<\/span><\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[83] F. Benini, N. Bassoli, P. Restuccia, M. Ferrario, and M.C. Righi, Interaction of water and oxygen molecules with phosphorene: an ab initio study<\/em><\/a><\/span>, Molecules<\/strong> 28, 3570 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

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[82] P. Restuccia, G. Losi, O. Chehami, M. Marsili, and M.C. Righi, High throughput first principles prediction of interfacial adhesion energies in metal-on-metal contacts<\/span><\/span><\/em><\/a>, ACS Applied Materials & Interfaces<\/strong> 15, 19624 (2023) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[81] E. Marquis, F. Benini, B. Anasori, A. Rosenkranz, and M. C. Righi, Effect of vacancies and edges in promoting water chemisorption on titanium-based MXenes<\/a><\/span>, <\/em>Nano Convergence<\/strong> 10, 16 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[80] <\/span>A. Rosenkranz, M.C. Righi, A. B. Anasori, and V. Mochalin, Perspective of 2D MXenes Tribology<\/span><\/em><\/a><\/span>, Adv<\/strong><\/span><\/span><\/span>anced Materials<\/strong> 35, <\/span><\/span>2207757\u00a0<\/span>(2023) (PDF<\/span><\/a>).<\/span><\/span><\/p>\n

–<\/span><\/p>\n

[79] S. Peeters, G. Losi, S. Loehl\u00e9, and M.C. Righi, Aromatic molecules as sustainable lubricants explored by ab initio simulations<\/span><\/em><\/a>, Carbon<\/strong> 203, 717 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[78] M. Cutini, G. Forghieri, M. Ferrario, and M.C. Righi, Adhesion, Friction and Tribochemical reactions at the Diamond-Silica Interface<\/a><\/span><\/span>, <\/em>Carbon<\/strong> 203, 601 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/p>\n

[77] G. Losi, M. Cutini, P. Restuccia, and M. C. Righi, Modeling phosphorene and MoS2 interacting with iron: lubricating effects compared to graphene<\/span><\/span><\/em><\/a>, Journal of Nanostructure in Chemistry<\/strong> 13, 497 (2023) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[76] P.V. Antonov, P. Restuccia, M.C. Righi, and J.W.M. Frenken, Attractive curves: the role of deformations in adhesion and friction on graphene<\/span><\/em><\/a>, Nanoscale Advances<\/strong> 4, 4175 (2022) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[75] N.V. Tran, and M.C. Righi, Ab initio insights into the interaction mechanisms between H2, H2O, and O2 molecules with diamond surfaces<\/span><\/em><\/a>, Carbon<\/strong> 199, 497 (2022) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[74] E. Marquis, M. Cutini, B. Anasori, A. Rosenkranz, and M.C. Righi, Nanoscale MXene Interlayer and Substrate Adhesion for Lubrication: A Density Functional Theory Study<\/em><\/a><\/span>, ACS Applied Nano Materials<\/strong> 5, 10516 (2022) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[73] S. Peeters, G. Losi, P. Restuccia, and M. C. Righi, Unravelling the mechanism to form MoS2 lubricant layers from MoDTC by ab initio simulations<\/span><\/span><\/em><\/a>, Applied Surface Science<\/strong> 606, 154880 (2022) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[72] S. Peeters, A. Barlini, J. Jain, N. N. Gosvami, and M. C. Righi, Adsorption and decomposition of ZDDP on <\/span><\/span>lightweight metallic substrates: Ab initio and<\/span> experimental insights<\/span><\/span><\/i><\/a>, Applied Surface Science<\/strong> 600, <\/span>153947 <\/span>(2022) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[71] Z. Liu, A. Hinaut, S. Peeters, S. Scherb, E. Meyer, M.C. Righi, and T. Glatzel, 2D KBr\/Graphene Heterostructures\u2014Influence on Work Function and Friction<\/span><\/span><\/a><\/em>, Nanomaterials<\/strong> 12, 968 (2022) (PDF<\/a><\/span>).<\/span><\/p>\n

–<\/span><\/p>\n

[70] M. Wolloch, G. Losi, O. Chehaimi, F. Yalcin, M. Ferrario, and M.C. Righi, High-throughput generation of potential energy surfaces for solid interfaces<\/span><\/span><\/em><\/a>, Computational Materials Science<\/strong> 207, 111302 (2022) (PDF<\/span><\/a>).<\/span><\/p>\n

–<\/span><\/p>\n

[69] M. Stella, C.D. Lorentz, and M.C. Righi, Effects of intercalated water on the lubricity of sliding layers under load: a theoretical investigation on MoS2<\/span><\/em><\/a>, 2D Materials<\/strong> 8, 35052 (2021) (PDF<\/span><\/a>).
–<\/span><\/p>\n

[68] S. Peeters, C. Charrin, I. Duron, S. Loehl\u00e9, B. Thiebaut, and M.C. Righi, Importance of the catalytic effect of the substrate in the functionality of lubricant additives: the case of molybdenum dithiocarbamates<\/a><\/em><\/span>, Materials Today Chemistry<\/strong> 21, 100487 (2021) (PDF<\/span><\/a>).<\/span>
–<\/span><\/p>\n

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[67] Z. Liu, A. Hinaut, S. Peeters, S. Scherb, E. Meyer, M.C. Righi, and T. Glatzel, Reconstruction of a 2D layer of KBr on Ir(111) and electromechanical alteration by graphene<\/a><\/em><\/span>, Beilstein Journal of Nanotechnology<\/strong> 12, 432 (2021) (PDF<\/span><\/a>).<\/span>
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[66] G. Losi, S. Peeters, F. Delayens, H. Vezin, S. Loehl\u00e9, B. Thiebaut, and M.C. Righi, Experimental and Ab Initio Characterization of Mononuclear Molybdenum Dithiocarbamates in Lubricant Mixtures<\/span><\/a><\/em>, Langmuir<\/strong> 37, 4836 (2021) (PDF<\/span><\/a>).<\/span><\/p>\n

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[65] C. Ayestar\u00e1n Latorre, J. P. Ewen, D. Dini, and M.C. Righi, Ab initio insights into the interaction mechanisms between boron, nitrogen and oxygen doped diamond surfaces and water molecules<\/em><\/a><\/span>, C<\/strong><\/span>arbon<\/strong> 171, 575 (2021).<\/span><\/p>\n

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[64] G. Fatti, M.C. Righi, D. Dini, and A. Ciniero, Ab Initio Study of Polytetrafluoroethylene Defluorination for Tribocharging Applications<\/em><\/a><\/span>, ACS Applied Polymer Materials<\/strong> 2, 5129 (2020).<\/span><\/p>\n

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[63] C. Corsini, S. Peeters, and M.C. Righi, Adsorption and Dissociation of Ni(acac)2<\/sub> on Iron by Ab Initio Calculations<\/a><\/em><\/span>, Journal of Physical Chemistry A<\/strong> 124, 8005 (2020) (PDF<\/a><\/span>).<\/span>
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[62] G. Ramirez, O. L. Eryilmaz, G. Fatti, M.C. Righi, J. Wen, and A. Erdemir, Tribochemical Conversion of Methane to Graphene and Other Carbon Nanostructures: Implications for Friction and Wear<\/span><\/em><\/a>, ACS Applied Nano Materials<\/strong> 3, 8060 (2020).
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[61] S. Peeters, P. Restuccia, S. Loehl\u00e9, B. Thiebaut, and M.C. Righi, Tribochemical Reactions of MoDTC Lubricant Additives with Iron by Quantum Mechanics \/ Molecular Mechanics Simulations<\/span><\/em><\/a>, Journal of Physical Chemistry C<\/strong> 124, 13688 (2020) (PDF<\/span><\/a>).<\/span>
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[60] G. Losi, P. Restuccia, and M.C. Righi, Superlubricity in phosphorene identified by means of ab initio calculations<\/em><\/span>,<\/a> 2D Materials<\/strong> 7, 025033 (2020) (PDF<\/a><\/span>).<\/span>
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[59] P. Restuccia, M. Ferrario and M.C. Righi, Monitoring water and oxygen splitting at graphene edges and folds: Insights into the lubricity of graphitic materials<\/a><\/em><\/span>, Carbon<\/strong> 156, 93 (2020).<\/span>
–<\/span><\/p>\n

[58]<\/span> A. Ciniero, G. Fatti, M.C. Righi, D. Dini, and T. Reddyhoff<\/span>, A combined experimental and theoretical study on the mechanisms behind tribocharging phenomenon and the influence of triboemission<\/em><\/a><\/span>, Tribology Online<\/strong> 14, 367 (2019).<\/span><\/span><\/p>\n

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[57] P. Restuccia, M. Ferrario, and M.C. Righi, Quantum Mechanics \/ Molecular Mechanics (QM\/MM) applied to tribology: Real-time monitoring of tribochemical reactions of water at graphene edges<\/a><\/em><\/span>, Computational Materials Science<\/strong> 173, 109400 (2019).<\/span>
–<\/span><\/p>\n

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[56] G. Fatti, and M.C. Righi, Selenium Chemisorption Makes Iron Surfaces Slippery<\/span><\/a><\/em>, Tribology Letters<\/strong> 67, 125 (2019).<\/span>
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[55] M. Wolloch, G. Losi, M. Ferrario, and M.C. Righi, High-throughput screening of the static friction and ideal cleavage strength of solid interfaces<\/a><\/em><\/span>, Scientific Reports<\/strong> 9, 17062 (2019).<\/span>
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[54] S. Peeters, P. Restuccia, S. Loehl\u00e9, B. Thiebaut, and M.C. Righi, Characterization of Molybdenum Dithiocarbamates by First Principles Calculations<\/span><\/a><\/em>, Journal of Physical Chemistry A<\/strong>\u00a0123, 7007 (2019).<\/span>
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[53] M. Schulzendorf, A. Hinaut, M. Kisiel, R. Joehr, R. Pawiak, P. Restuccia, E. Meyer, M.C. Righi, and T. Glatzel, Altering the Properties of Graphene on Cu(111) by Intercalation of Potassium Bromide<\/span><\/a><\/em>, ACS Nano<\/strong> 13, 5485, 5485 (2019).<\/span>
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[52] 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)<\/a><\/em><\/span>, Journal of Physical Chemistry C<\/strong> 123,\u00a06250 (2019).<\/span>
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[51] G. Fatti, P. Restuccia, C. Calandra, and M.C. Righi, Phosphorus adsorption on Fe(110): An ab initio comparative study of iron passivation by different adsorbates<\/span><\/em><\/a>, Journal of Physical Chemistry C<\/strong> 122, 28105 (2018).<\/span>
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[50] M. Wolloch, G. Levita, P. Restuccia, and M.C. Righi, Interfacial Charge Density and Its Connection to Adhesion and Frictional Forces<\/span><\/em><\/a>, Physical Review Letters<\/strong><\/span> 121, 026804 (2018).<\/span>
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[49] P. Restuccia, G. Levita, M. Wolloch, G. Losi, G. Fatti, M. Ferrario, and M.C. Righi, Ideal adhesive and shear strengths of solid interfaces: A high throughput ab initio approach<\/a><\/em><\/span>, Computational Materials Science<\/strong> 154, 517 (2018).\u00a0<\/span>
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[48] S. Loehl\u00e9, and M.C. Righi, Ab Initio Molecular Dynamics Simulation of Tribochemical Reactions Involving Phosphorus Additives at Sliding Iron Interfaces<\/a><\/em><\/span>, Lubricants<\/strong> 6, 31 (2018).<\/span>
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[47] M.C. Righi, Chapter Understanding the Tribochemistry of Lubricant Additives by Ab initio Calculations: The Case of Phosphites<\/span><\/em><\/a> of the book Advanced Analytical Methods in Tribology<\/strong> (2018).<\/span>
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[46] G. Levita, S. Kajita, and M.C. Righi, Water adsorption on the diamond (111) surfaces: An ab initio study<\/span><\/em><\/a>, Carbon<\/strong> 127, 533 (2017).<\/span>
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[45] S. Loehl\u00e9, and M.C. Righi, First principles study of organophosphorus additives in boundary lubrication conditions: Effects of hydrocarbon chain length<\/span><\/em><\/a>, Lubrication Science<\/strong> 29, 485 (2017).<\/span>
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[44] D. Marchetto, P. Restuccia, A. Ballestrazzi, M.C. Righi, A. Rota, and S. Valeri, Surface passivation by graphene in the lubrication of iron: A comparison with bronze<\/a><\/em><\/span>, Carbon<\/strong> 116, 375 (2017).<\/span>
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[43] G. Levita, and M.C. Righi, Effects of Water Intercalation and Tribochemistry on MoS2 Lubricity: An Ab Initio Molecular Dynamics Investigation<\/span><\/a><\/em>, ChemPhysChem<\/strong> 18, 1475 (2017). Cover picture of the issue.<\/span>
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[42] G. Levita, P. Restuccia, and M.C. Righi, Graphene and MoS2 interacting with water: A comparison by ab initio calculations<\/span><\/span><\/em><\/a>, Carbon<\/strong> 107, 878 (2016).<\/span><\/p>\n

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[41] 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<\/span><\/a><\/em>, <\/em>Physical Chemistry Chemical Physics<\/strong> 18, 28997 (2016) (PDF<\/a>).<\/span>
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[40] P. Restuccia, and M. C. Righi, Tribochemistry of graphene on iron and its possible role in lubrication of steel<\/span><\/a><\/em>, <\/em>Carbon<\/strong> 106, 118 (2016) (PDF<\/a>).<\/span>
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[39] 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<\/span><\/a><\/em>, <\/em>RSC Advances<\/strong> 6, 47753 (2016).<\/span>
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[38] M.C. Righi, G. Zilibotti, S. Corni, M. Ferrario, and C.M. Bertoni, First-Principle Molecular Dynamics of Sliding Diamond Surfaces. Tribochemical Reactions with Water and Load Effects<\/a><\/em><\/span>, <\/em>Journal of Low Temperature Physics<\/strong> 185, 174 (2016).<\/span>
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[37] S. Kajita, and M.C. Righi, A fundamental mechanism for carbon-film lubricity identified by means of ab initio molecular dynamics<\/a><\/em><\/span>,\u00a0<\/em>Carbon<\/strong> 103, 193 (2016) (PDF<\/a>).<\/span>
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[36] S. Kajita, and M.C. Righi Insights into the tribochemistry of silicon-doped carbon based films by ab initio analysis of water\/surface interactions<\/span><\/em><\/a>, Tribology Letters<\/strong> 61, 17 (2016) (PDF<\/a>).<\/span>
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[35] 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<\/em><\/a><\/span>, RSC Advances<\/strong> 5, 101162 (2015).<\/span>
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[34] 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<\/a><\/em><\/span>, <\/em>Physical Review B<\/strong> 92, 085434 (2015).<\/span>
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[33] 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<\/a><\/em><\/span>, <\/em>RSC Advances<\/strong> 5, 49270 (2015).<\/span>
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[32] 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<\/em><\/a><\/span>, Nanoscale<\/strong> 6, 8062 (2014).<\/span>
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[31] G. Levita, A. Cavaleiro, E. Molinari, T. Polcar, and M.C. Righi, Sliding properties of MoS2 layers: Load and interlayer orientation effects<\/em><\/a><\/span>, Journal of Physical Chemistry C<\/strong> 118, 13809 (2014).<\/span>
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[30] G. Zilibotti, S. Corni, and M.C. Righi, Load-induced confinement activates diamond lubrication by water<\/a><\/em><\/span>, <\/em>Physical Review Letters<\/strong> 111, 146101 (2013).<\/span>
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[29] M. Reguzzoni, A. Fasolino, E. Molinari, and M.C. Righi, Frictional properties of multilayer graphene by ab initio and classical molecular dynamics calculation<\/em><\/a>, 5th <\/sup>World Tribology Congress (WTC)<\/strong> 1, 744 (2013).<\/span>
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[28] M. Reguzzoni, A. Fasolino, E. Molinari, and M.C. Righi, Potential energy surface for graphene on graphene: derivation, analytical description, and microscopic interpretation<\/em><\/a><\/span>, Physical Review B<\/strong> 86, 245434 (2012).<\/span>
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[27] M. Reguzzoni, A. Fasolino, E. Molinari, and M.C. Righi, Friction by shear deformations in multilayer graphene<\/a><\/em><\/span>, <\/em>Journal of Physical Chemistry C<\/strong>\u00a0116, 21104 (2012).<\/span>
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[26] M. Reguzzoni, and M.C. Righi, Size dependence of static friction between solid clusters and substrates<\/em><\/a><\/span>, Physical Review B<\/strong> 85, 201412(R) (2012).<\/span>
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[25] 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<\/em><\/a><\/span>, Journal of Physical Chemistry C<\/strong> 116, 6966 (2012).<\/span>
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[24] G. Zilibotti, S. Corni, and M.C. Righi, Formation energy of dangling bonds on hydrogenated diamond surfaces: a first principle study<\/em><\/a><\/span>, Physical Review B<\/strong> 85, 033406 (2012).<\/span>
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[23] 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<\/em><\/a><\/span>, Langmuir<\/strong> 27, 6862 (2011).<\/span>
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[22] G. Zilibotti, M. Ferrario, C.M. Bertoni, and M.C. Righi, Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces<\/em><\/a><\/span>, Computer Physics Communications<\/strong> 182, 1796 (2011).<\/span>
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[21] O. Manelli, S. Corni, and M.C. Righi, Water adsorption on native and hydrogenated diamond (001) surfaces<\/em><\/a><\/span>, Journal of Physical Chemistry C<\/strong> 114, 7045 (2010).<\/span>
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[20] M. Reguzzoni, M. Ferrario, S. Zapperi, and M.C. Righi, Onset of frictional slip by domain nucleation in adsorbed monolayers<\/em><\/a><\/span>, Proceedings of the National Accademy of Sciences (PNAS)<\/strong> 107, 1113 (2010).<\/span><\/p>\n

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[19] 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)<\/em><\/a><\/span>, AIP conference proceedings<\/strong> 1199, 21 (2010).<\/span><\/p>\n

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[18] 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<\/em><\/a><\/span>, Physical Review B<\/strong> 80, 115324 (2009).<\/span>
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[17] G. Zilibotti, M.C. Righi, and M. Ferrario, Ab initio study on the surface chemistry and nanotribological properties of passivated diamond surfaces<\/em><\/a><\/span>, Physical Review B<\/strong> 79, 075420 (2009).<\/span><\/p>\n

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[16] M. Rosini, M.C. Righi, P. Kratzer, and R. Magri, Indium surface diffusion on InAs (2×4) reconstructed wetting layers on GaAs(001)<\/em><\/a><\/span>, Physical Review B<\/strong> 79, 075302 (2009).<\/span>
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[15] M.C. Righi, and M. Ferrario, Pressure induced friction collapse of rare gas boundary layers sliding over metal surfaces<\/em><\/a><\/span>, Physical Review Letters<\/strong> 99, 176101 (2007).<\/span>
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[14] 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<\/em><\/a><\/span>, Physical Review B<\/strong> 75, 165312 (2007).<\/span>
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[13] M.C. Righi, and M. Ferrario, Potential energy surface for rare gases adsorbed on Cu(111): Parametrization of the gas\/surface interaction potential<\/em><\/a><\/span>, Journal of Phys. Condens. Matter<\/strong> 19, 305008 (2007).<\/span>
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[12] M.C. Righi, Rita Magri, and C.M. Bertoni, Study of arsenic for antimony exchange at the Sb-stabilized GaSb(001) surface<\/em><\/a><\/span>, Applied Surface Science<\/strong> 252, 5271 (2006).<\/span>
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[11] 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 \u221a3x\u221a3 b-SiC(111) surface<\/em><\/a><\/span>, Physical Review B<\/strong> 71, 075303 (2005).<\/span>
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[10] D. Ceresoli, M.C. Righi, E. Tosatti, S. Scandolo, G. Santoro, and S. Serra, Exciton self-trapping in bulk polyethylene<\/em><\/a><\/span>, Journal of Physics: Condensed Matter<\/strong> 17, 4621 (2005).<\/span><\/p>\n

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[9]\u00a0<\/span>M.C.\u00a0<\/span>Righi, R. Magri, and <\/span>C.M.\u00a0<\/span>Bertoni,\u00a0<\/span>First-principles study of GaSb(001) surface reconstructions<\/a><\/span>, <\/span><\/em>AIP Conference Proceedings<\/strong> 772, 375-376 (2005).<\/span><\/p>\n

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[8] A. Catellani, G. Cicero, M.C. Righi, and C.A. Pignedoli, First principles simulation of SiC-based interfaces<\/em><\/a><\/span>, Materials Science Forum<\/strong> 483-485, 541 (2005).<\/span>
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[7] M.C. Righi, Rita Magri, and C.M. Bertoni, First-principles study of Sb-stabilized GaSb(001) surface reconstructions<\/em><\/a><\/span>, Physical Review B<\/strong> 71, 075323 (2005).<\/span>
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[6] M.C. Righi, C.A. Pignedoli, R. Di Felice, C.M. Bertoni, and A. Catellani, Kinetic MonteCarlo simulations of C diffusion on \u221a3x\u221a3 beta-SiC (111) based on ab-initio calculations<\/em><\/a><\/span>, Computer Physics Communications<\/strong>\u00a0169, 50 (2005).<\/span>
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[5] M.C. Righi, C.A. Pignedoli, R. Di Felice, C.M. Bertoni, and A. Catellani, Ab initio simulation of homoepitaxial SiC growth<\/em><\/a><\/span>, Physical Review Letters<\/strong>\u00a091, 136101 (2003).<\/span>
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[4] M.C. Righi, C.A. Pignedoli, G. Borghi, R. Di Felice, C.M. Bertoni, and A. Catellani, Surface Induced Stacking Transition at SiC(0001)<\/em><\/a><\/span>, Physical Review B<\/strong> 66, 045320 (2002).<\/span>
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[3] 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<\/em><\/a><\/span>, Chemical Physics Letters<\/strong> 360, 487 (2002).<\/span>
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[2] D. Ceresoli, M.C. Righi, E. Tosatti, S. Scandolo, G. Santoro, and S. Serra, Electron-hole Trapping and Self-Trapping in Polyethylene<\/em>, “Festschrift in Honor of F. Bassani<\/em>“, ed. by G. Grosso, G. Larocca and M.P. Tosi, Scuola Normale Superiore, Pisa, (2001).<\/span>
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[1] M.C. Righi, S. Scandolo, S. Serra, S. Iarlori, E. Tosatti, and G.E. Santoro, Surface States and Negative Electron Affinity in Polyethylene<\/em><\/a><\/span>, Physical Review Letters<\/strong>\u00a087, 076802 (2001).<\/span><\/p>\n

<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"

[134] V. Foder\u00e0, I. Giarnieri, A. Bertuzzi, F. Ospitali, Phuoc H. Ho, P. Benito, M.C. Righi, A comparative experimental and first principles study of methane decomposition on Fe-based and Ni-based catalysts for H2 and CNTs production, Carbon 254, 121471(2026) (PDF). – [133] P. Restuccia, E. Pedretti, F. Benini, S. Loehl\u00e9, M.C. Righi, Phosphorus-based lubricant additives…
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