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Advancing Solid Interfaces and Lubricants by First Principles Material Design


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

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, 1, 2021, ISSN 2053-1583
Editore: Springer
DOI: 10.1007/s40097-022-00478-1

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

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