Hybrid 2D-based interfaces from first principles

CoordinatorAtodiresei, Nicolae
Grant period2019-05-01 - 2021-04-30
Funding bodyVSR/JARA
IdentifierG:(DE-Juel1)jias1e_20190501

Hybrid 2D-based interfaces from first principles

Note: JSC computation time grant
 

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Local dimerization and dedimerization of C60 molecules under a tip of scanning tunneling microscope: A first-principles study
Carbon 159, 638 - 647 () [10.1016/j.carbon.2019.12.046] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Spin-polarized electron transmission through B-doped graphene nanoribbons with Fe functionalization: a first-principles study
New journal of physics 22(6), 063022 () [10.1088/1367-2630/ab8cac] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Corrugated graphene exposes the limits of a widely used ab initio van der Waals DFT functional
Physical review materials 3(12), 124001 () [10.1103/PhysRevMaterials.3.124001] BibTeX | EndNote: XML, Text | RIS

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 Record created 2020-09-21, last modified 2020-09-21



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