215 citations · 592 across the 20 of their papers we have counts for
20 papers
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…
Accurate multiscale simulation of frictional interfaces by Quantum Mechanics/Green's Function molecular dynamics
Seiji Kajita, Alberto Pacini, Gabriele Losi +2
Understanding frictional phenomena is a fascinating fundamental problem with huge potential impact on energy saving. Such an understanding requires monitoring what happens at the s…
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…
Interfacial charge density and its connection to adhesion and frictional forces
M. Wolloch, G. Levita, P. Restuccia +1
We derive a connection between the intrinsic tribological properties and the electronic properties of a solid interface. In particular, we show that the adhesion and frictional for…
Size-dependent commensurability and its possible role in determining the frictional behavior of adsorbed systems
Paolo Restuccia, Mauro Ferrario, Pier Luigi Sivestrelli +2
Recent nanofriction experiments of xenon on graphene revealed that the slip onset can be induced by increasing the adsorbate coverage above a critical value, which depends on tempe…
Tribochemistry of graphene on iron and its possible role in lubrication of steel
Paolo Restuccia, M. C. Righi
Recent tribological experiments revealed that graphene is able to lubricate macroscale steel-on-steel sliding contacts very effectively both in dry and humid conditions. This effec…
A fundamental mechanism for carbon-film lubricity identified by means of ab initio molecular dynamics
Seiji Kajita, Maria Clelia Righi
Different hypotheses have been proposed to explain the mechanism for the extremely low friction coefficient of carbon coatings and its undesired dependence on air humidity. A decis…
Insigths into the tribochemistry of silicon-doped carbon based films by ab initio analysis of water/surface interactions
Seiji Kajita, M. C. Righi
Diamond and diamond-like carbon (DLC) are used as coating materials for numerous applications, ranging from biomedicine to tribology. Recently, it has been shown that the hydrophil…
Thermolubricity of Xe monolayers on graphene
M. Pierno, L. Bignardi, M. C. Righi +6
The nanofriction of Xe monolayers deposited on graphene was explored with a quartz crystal microbalance (QCM) at temperatures between 25 and 50 K. Graphene was grown by chemical va…
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…