Pubblicazioni Peer reviewed articles (24) Adhesion, Friction and Tribochemical reactions at the Diamond-Silica Interface Autori: M. Cutini, G. Forghieri, M. Ferrario, Maria Clelia Righi Pubblicato in: Carbon, 2023, ISSN 0008-6223 Editore: Pergamon Press Ltd. DOI: 10.48550/arxiv.2304.06550 Adsorption and decomposition of ZDDP on lightweight metallic substrates: Ab initio and experimental insights Autori: Stefan Peeters, Alberto Barlini, Jayant Jain, Nitya Nand Gosvami, Maria Clelia Righi Pubblicato in: Applied Surface Science, 2022, ISSN 0169-4332 Editore: Elsevier BV DOI: 10.1016/j.apsusc.2022.153947 TribChem: a Software for the First-principles, High-Throughput Study of Solid Interfaces and their Tribological properties Autori: Gabriele Losi, Omar Chehaimi, Maria Clelia Righi Pubblicato in: Journal of Chemical Theory and Computation, 2023, ISSN 0010-4655 Editore: Elsevier BV DOI: 10.48550/arxiv.2304.14367 Atomistic Wear Mechanisms in Diamond: Effects of Surface Orientation, Stress, and Interaction with Adsorbed Molecules Autori: Huong T. T. Ta, Nam V. Tran, M.C. Righi Pubblicato in: Langmuir, 2023, ISSN 0743-7463 Editore: American Chemical Society DOI: 10.1021/acs.langmuir.3c01800 Efect of vacancies and edges in promotingwater chemisorption on titanium-based MXenes Autori: E. Marquis, F. Benini, B. Anasori, A. Rosenkranz, Maria Clelia Righi Pubblicato in: Nano Convergence, 2023, ISSN 2196-5404 Editore: Spinger Open DOI: 10.1186/s40580-023-00364-8 Perspectives of 2D MXene Tribology. Autori: Andreas Rosenkranz; Maria Clelia Righi; Anirudha V. Sumant; Babak Anasori; Vadym N. Mochalin Pubblicato in: Advanced material, Issue 1, 2022, ISSN 1521-4095 Editore: Wiley open library DOI: 10.1002/adma.202207757 High-throughput generation of potential energy surfaces for solid interfaces Autori: Michael Wolloch, Gabriele Losi, Omar Chehaimi, Firat Yalcin, Mauro Ferrario, Maria Clelia Righi Pubblicato in: Computational Materials Science, 2022, ISSN 0927-0256 Editore: Elsevier BV DOI: 10.1016/j.commatsci.2022.111302 Importance of the catalytic effect of the substrate in the functionality of lubricant additives: the case of molybdenum dithiocarbamates Autori: S. Peeters, C. Charrin, I. Duron, S. Loehlé, B. Thiebaut, Maria Clelia Righi Pubblicato in: Materials Today Chemistry, 2021, ISSN 2468-5194 Editore: Elsevier DOI: 10.1016/j.mtchem.2021.100487 Modeling phosphorene and $$\hbox {MoS}_{2}$$ interacting with iron: lubricating effects compared to graphene Autori: Gabriele Losi; Michele Cutini; Paolo Restuccia; M. Clelia Righi Pubblicato in: 2D Materials, Issue 1, 2021, ISSN 2053-1583 Editore: Springer DOI: 10.1007/s40097-022-00478-1 Nanoscale MXene Interlayer and Substrate Adhesion for Lubrication: A Density Functional Theory Study Autori: Edoardo Marquis; Michele Cutini; Babak Anasori; Andreas Rosenkranz; Maria Clelia Righi Pubblicato in: Applied Nano Material, Issue 2, 2022, ISSN 2574-0970 Editore: American Chemical Society DOI: 10.1021/acsanm.2c01847 Effects of intercalated water on the lubricity of sliding layers under load: a theoretical investigation on MoS2 Autori: Martina Stella; Christian D. Lorenz; Maria Clelia Righi Pubblicato in: 2D Materials, 2021, ISSN 2053-1583 Editore: IOP Science DOI: 10.1088/2053-1583/ac07ed High-Throughput First-Principles Prediction of Interfacial Adhesion Energies in Metal-on-Metal Contacts Autori: P. Restuccia, G. Losi, O. Chehami, M. Marsili, Maria Clelia Righi Pubblicato in: ACS Applied Materials & Interfaces, 2023, ISSN 1944-8244 Editore: American Chemical Society DOI: 10.1021/acsami.3c00662 Attractive curves: the role of deformations in adhesion and friction on graphene Autori: P. V. Antonov; P. Restuccia; M. C. Righi; J. W. M. Frenken Pubblicato in: Nanoscale Advances, 2022, ISSN 2516-0230 Editore: The Royal Society of Chemistry DOI: 10.1039/d2na00283c Interaction of Water and Oxygen Molecules with Phosphorene: An Ab Initio Study Autori: F. Benini, N. Bassoli, P. Restuccia, M. Ferrario, Maria Clelia Righi Pubblicato in: Molecules, 2023, ISSN 1420-3049 Editore: Multidisciplinary Digital Publishing Institute (MDPI) DOI: 10.3390/molecules28083570 Xsorb: a software for identifying the most stable adsorption configuration and energy of a molecule on a crystal surface Autori: Enrico Pedretti, Paolo Restuccia, Maria Clelia Righi Pubblicato in: Computer Physics Communications, 2023, ISSN 1549-9618 Editore: American Chemical Society DOI: 10.1016/j.cpc.2023.108827 2D KBr/Graphene Heterostructures—Influence on Work Function and Friction Autori: Zhao Liu, Antoine Hinaut, Stefan Peeters, Sebastian Scherb, Ernst Meyer, Maria Clelia Righi and Thilo Glatzel Pubblicato in: Nanomaterials, 2021, ISSN 2079-4991 Editore: MDPI DOI: 10.3390/nano12060968 Unraveling the mechanism to form MoS lubricant layers from MoDTC by ab initio simulations Autori: Stefan Peeters, Gabriele Losi, Paolo Restuccia, Maria Clelia Righi Pubblicato in: Applied Surface Science, 2022, ISSN 0169-4332 Editore: Elsevier BV DOI: 10.1016/j.apsusc.2022.154880 Defects drive the tribocharging strength of PTFE: An ab-initio study Autori: Alessandra Ciniero, Giulio Fatti, Margherita Marsili, Daniele Dini, M. Clelia Righi Pubblicato in: Nano Energy, 2023, ISSN 2211-2855 Editore: Elsevier BV DOI: 10.1016/j.nanoen.2023.108502 Accurate multiscale simulation of frictional interfaces by Quantum Mechanics/Green's Function molecular dynamics Autori: Seiji Kajita, Alberto Pacini, Gabriele Losi, Nobuaki Kikkawa, Maria Clelia Righ Pubblicato in: Journal of Chemical Theory and Computation, 2023, ISSN 1549-9618 Editore: American Chemical Society DOI: 10.48550/arXiv.2304.10967 Zinc dialkyldithiophosphates adsorption and dissociation on ferrous substrates: An ab initio study Autori: Francesca Benini, Paolo Restuccia, M.C. Righi Pubblicato in: Applied Surface Science, 2023, ISSN 0169-4332 Editore: Elsevier BV DOI: 10.1016/j.apsusc.2023.158419 Aromatic molecules as sustainable lubricants explored by ab initio simulations Autori: S. Peeters, G. Losi, S. Loehlé, Clelia Righi Pubblicato in: Carbon, 2023, ISSN 0008-6223 Editore: Pergamon Press Ltd. DOI: 10.48550/arxiv.2304.06501 Nanotribological Properties of Oxidized Diamond/Silica Interfaces: Insights into the Atomistic Mechanisms of Wear and Friction by Ab Initio Molecular Dynamics Simulations Autori: Huong T. T. Ta, Nam V. Tram, M.C. Righi Pubblicato in: ACS Applied Nano Materials, 2023, ISSN 2574-0970 Editore: American Chemical Society DOI: 10.1021/acsanm.3c02881 Se Nano-Powder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions Autori: P.G. Grützmacher, M. Cutini, E. Marquis, M. Rodríguez Ripoll, H. Riedl, P. Kutrowatz, S. Bug, C.J. Hsu, J. Bernardi, C. Gachot, A. Erdemir and M.C. Righi, Pubblicato in: Advanced Materials, 2023, ISSN 1521-4095 Editore: Wiley on line library DOI: 10.1002/adma.202302076 Ab initio insights into the interaction mechanisms between H2,H2O, and O2 molecules with diamond surfaces Autori: Nam V. Tran, Maria Clelia Righi Pubblicato in: Carbon, 2022, ISSN 0008-6223 Editore: Pergamon Press Ltd. DOI: 10.48550/arxiv.2304.06438 È in corso la ricerca di dati su OpenAIRE... Si è verificato un errore durante la ricerca dei dati su OpenAIRE Nessun risultato disponibile
