نتایج جستجو برای: silicene
تعداد نتایج: 704 فیلتر نتایج به سال:
One-side semihydrogenated monolayers of carbon, silicon, germanium, and their binary compounds with different configurations of hydrogen atoms are investigated by density functional theory. Among three considered configurations, zigzag, other than the most studied chair configuration, is energetically the most favorable structure of one-side semihydrogenation. Upon semihydrogenation, the semime...
The discovery of graphene has inspired extensive interest in two-dimensional (2D) materials, and has led to synthesis/growth of additional 2D materials, generally referred to as ‘Beyond Graphene’. Notable among the recently discovered exotic 2D materials are group IV elemental monolayers silicene and germanene, group V elemental monolayer phosphorene, and binary monolayers, such as hexagonal bo...
The synthesis and structures of graphene on Ru(0001) and Pt(111), silicene on Ag(111) and Ir(111) and the honeycomb hafnium lattice on Ir(111) are reviewed. Epitaxy on a transition metal (TM) substrate is a pro-mising method to produce a variety of two dimensional (2D) atomic crystals which potentially can be used in next generation electronic devices. This method is particularly valuable in th...
Two-dimensional materials are one of the most active areas of nanomaterials research. Here we report the structural stability, electronic and vibrational properties of different monolayer configurations of the group IV elemental materials silicene and germanene. The structure of the stable configuration is calculated and for planar and low (<1 Å) atomic buckling configurations, analysis of the ...
The first-principles calculations are performed based on the density functional theory (DFT) [1] with generalized gradient approximation (GGA) in the form of Perdew-BurkeErnzerhof (PBE) functional [2] as implemented in Vienna Abinitio Simulation Package (VASP) [3]. The GGA +U method which treats the on-site repulsion interactions of 3d electrons in a mean field manner is used to evaluate the st...
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