215 citations · 592 across the 20 of their papers we have counts for
13 papers · 1 filter
On the Role of Interlayer Electrons on the Frictional Behavior of Two-Dimensional Electrides
Jingcheng Qi, Giuliana Materzanini, Gian-Marco Rignanese +2
Friction accounts for up to 30% of global energy consumption, underscoring the urgent need for superlubricity in advanced materials. Two-dimensional (2D) electrides are layered mat…
Effects of surface chemical modifications on the adhesion of metallic interfaces. An high-throughput analysis
Emiliano Poli, Michele Cutini, Mohamed Ahmed Mohamed Abdelazim Nosir +2
Chemical interactions between two surfaces in contact play a crucial role in determining the mechanical and tribological behavior of solid interfaces. These interactions can be qua…
Zinc dialkyldithiophosphates adsorption and dissociation on ferrous substrates: an ab initio study
Francesca Benini, Paolo Restuccia, Maria Clelia Righi
Zinc dialkyldithiophosphates (ZDDPs) have been commonly used as anti-wear additives in the automotive industry for the past 80 years. The morphology, composition and structure of t…
Solid-Lubrication Performance of Ti3C2Tx -- Effect of Tribo-Chemistry and Exfoliation
Andreas Rosenkranz, Bo Wang, Dario Zambrano +7
Multi-layer Ti3C2Tx coatings have demonstrated an outstanding wear performance with excellent durability due to beneficial tribo-layers formed. However, the involved formation proc…
Ab initio investigation of the effects of B-doping on the adsorption of H2O, H2 and O2 molecules at diamond surfaces
Stefanos Giaremis, Maria Clelia Righi
Boron doped diamond is extensively studied for its use in tribological and electrochemical applications due to its remarkable physical and chemical properties. However, ambient con…
TribChem: a Software for the First-principles, High-Throughput Study of Solid Interfaces and their Tribological properties
Gabriele Losi, Omar Chehaimi, M. Clelia Righi
High throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to ad…
Se Nano-Powder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions
Philipp G. Grützmacher, Michele Cutini, Edoardo Marquis +9
Transition metal dichalcogenide (TMD) coatings have attracted enormous scientific and industrial interest due to their outstanding tribological behavior. The paradigmatic example i…
Defects drive the tribocharging strength of PTFE
A. Ciniero, G. Fatti, M. Marsili +2
If polytetrafluoroethylene (PTFE), commonly known as Teflon, is put into contact and rubbed against another material, almost surely it will be more effective than its counterpart i…
Adhesion, Friction and Tribochemical Reactions at the Diamond-Silica Interface
Michele Cutini, Gaia Forghieri, Mauro Ferrario +1
Diamond-based coatings are employed in several technological applications, for their outstanding mechanical properties, biocompatibility, and chemical stability. Of significant rel…
Aromatic molecules as sustainable lubricants explored by ab initio simulations
Stefan Peeters, Gabriele Losi, Sophie Loehlé +1
In the pursuit of sustainable lubricant materials, the conversion of common organic molecules into graphitic material has been recently shown to effectively reduce friction of meta…
Importance of the catalytic effect of the substrate in the functionality of lubricant additives: the case of MoDTC
Stefan Peeters, Catherine Charrin, Isabelle Duron +3
Molybdenum dithiocarbamates (MoDTCs) are lubricant additives very efficient in reducing the friction of steel and they are employed in a number of industrial applications. The func…
Atomistic Wear Mechanisms in Diamond: Effects of Surface Orientation, Stress, and Interaction with Adsorbed Molecules
Huong T. T. Ta, Nam V. Tran, M. C. Righi
Despite its unrivaled hardness, diamond can be severely worn during the interaction with others, even softer materials. In this work, we calculate from first-principles the energy…
Exciton self-trapping in bulk polyethylene
D. Ceresoli, M. C. Righi, E. Tosatti +3
We studied theoretically the behavior of an injected electron-hole pair in crystalline polyethylene. Time-dependent adiabatic evolution by ab-initio molecular dynamics simulations…