Dataset on 2D Material-Metal Interfaces: Adhesion, PES Corrugation, Interface Distance, and Supercell Area

Elmahi, Mohamed ; Damiani, Elisa ; Marsili, Margherita ; Righi, Maria Clelia (2025) Dataset on 2D Material-Metal Interfaces: Adhesion, PES Corrugation, Interface Distance, and Supercell Area. University of Bologna. DOI 10.6092/unibo/amsacta/8605. [Dataset]
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Abstract

This dataset presents the computed energetic properties of a 2D-material-metal interfaces. It includes adhesion energies, potential energy surface (PES), equilibrium interface dis- tances and the supercell areas, that were obtained in an automatized way using TribChem software [1]. The dataset contains Graphene and six transition-metal dichalcogenides TMDs (MoS2, MoSe2, MoTe2, WS2, WSe2, and WTe2) interfaced with fourteen metals.

Abstract
Tipologia del documento
Dataset
Autori
AutoreAffiliazioneORCID
Elmahi, MohamedDepartment of Physics and Astronomy, University of Bologna0009-0001-8758-2327
Damiani, ElisaDepartment of Physics and Astronomy, University of Bologna0009-0001-5693-1424
Marsili, MargheritaDepartment of Physics and Astronomy, University of Bologna0000-0003-1009-287X
Righi, Maria CleliaDepartment of Physics and Astronomy, University of Bologna0000-0001-5115-5801
Settori scientifico-disciplinari
PE8 - Products and Processes Engineering: Product design, proces s design and control, construction methods, civil engineering, energy systems, material engineering
PE8 - Products and Processes Engineering: Product design, proces s design and control, construction methods, civil engineering, energy systems, material engineering > PE8_9 Materials engineering (biomaterials, metals, ceramics, polymers, composites…)
DOI
10.6092/unibo/amsacta/8605
Contributors
Contributor
Affiliazione
ORCID
Tipo
Righi, Maria Clelia
University of Bologna
Contact person
Data di deposito
03 Nov 2025 09:50
Ultima modifica
03 Nov 2025 12:23
Nome del Progetto
SLIDE - Advancing Solid Interfaces and Lubricants by First Principles Material Design
Programma di finanziamento
EC - H2020
URI
https://amsacta.unibo.it/id/eprint/8605

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© ALMA MATER STUDIORUM - Università d Bologna, 2007-2025.

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