Offres de Thèses, Stages et Post-docs

nombre d'offres : 1

Theoretical study of graphene-like materials

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Offre n° 4462263

Two-dimensional materials are of significant interest for many applications in nano-science. Graphene is the prototype of this material family. It’s potential applications cover the fields of nano-electronics but also the building block as a substrate for self-organization of nano-objects. However the absence of gap in raw graphene limit its potential applications for making transistors logic field effect. Currently its optical and mechanical properties are more highlighted for application in the field of touchscreens. These advances are also based in part on the development of techniques for routine growth of large samples. The path of growth by chemical vapor deposition has shown great potential and already lead to monolayer graphene on square meters. Recently these CVD methods have been used to grow new two-dimensional materials (MoS2, and others). The proposed research is part of a basic research effort with a medium-term goal for the design of alternative sp2-materials.

In close collaboration with experiments the PhD candidate will apply state of the art simulation techniques in order to guide and/or support the design of these new materials. It includes the use of Density Functional Theory in order to assess stable phases and their properties. Kinetics will be also considered using ab-intio based Potential Energy Surface methodologies as well as Kinetic Monte Carlo.

  • Mots clés : Physique de la matière condensée, Physique, INAC, MEM
  • Laboratoire : INAC / MEM
  • Code CEA : 4462263
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