New Journal of Chemistry · 2021 · 81 citations · 46 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsElectronic MaterialsSemiconductor MaterialsAb Initio MethodsElectronic Band StructureSemiconductor HeterostructuresSemiconductor NanomaterialsSemiconductor PhysicsSurface PhysicsHeterostructure MaterialsHeterostructuresOptical PropertiesSurface Optical PropertiesTwo-dimensional HeterostructuresTwo-dimensional MaterialsTwo-dimensional Semiconductor HeterostructuresVan Der Waals Heterostructures
Motivated by the successful preparation of MoSi<sub>2</sub>N<sub>4</sub> monolayers in the last year [Y.-L. Hong <italic>et al.</italic>, <italic>Science</italic>, 2020, <bold>369</bold>, 670–674], the structural, electronic and optical properties of MoS<sub>2</sub>/MoSi<sub>2</sub>N<sub>4</sub> heterostructure are investigated.
46
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Electric Field Effect in Atomically Thin Carbon Films
Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Science · 2004 · 66.1K citations · Full text
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17