Rise of silicene: A competitive 2D material
Silicene, a silicon analogue of graphene, has attracted increasing attention during the past
few years. As early as in 1994, the possibility of stage corrugation in the Si analogs of …
few years. As early as in 1994, the possibility of stage corrugation in the Si analogs of …
A theoretical review on electronic, magnetic and optical properties of silicene
Inspired by the success of graphene, various two dimensional (2D) structures in free
standing (FS)(hypothetical) form and on different substrates have been proposed recently …
standing (FS)(hypothetical) form and on different substrates have been proposed recently …
A review on transport characteristics and Bio-sensingapplication of Silicene
Silicene, a silicon counterpart of graphene, has been predicted to possess massless Dirac
fermions. Compared to graphene, the effective spin-orbit interaction is quite significant …
fermions. Compared to graphene, the effective spin-orbit interaction is quite significant …
Graphene-like emerging 2D materials: recent progress, challenges and future outlook
Owing to the unique physical and chemical properties of 2D materials and the great success
of graphene in various applications, the scientific community has been influenced to explore …
of graphene in various applications, the scientific community has been influenced to explore …
Effect of Cr do** on electronic and optical properties of mono/bilayer MoTe2 nanosheets–a first-principles study
The influence of Cr-do** on mono/bilayer MoTe 2 nanostructures is studied within the
framework of density functional theory (DFT) since do** may be used to effectively tailor …
framework of density functional theory (DFT) since do** may be used to effectively tailor …
Properties of BC6N monolayer derived by first-principle computation: Influences of interactions between dopant atoms on thermoelectric and optical properties
The properties of graphene-like BC 6 N semiconductor are studied using density functional
theory taking into account the attractive interaction between B and N atoms. In the presence …
theory taking into account the attractive interaction between B and N atoms. In the presence …
First-principles computation of magnesium doped CaZrO3 perovskite: a study of phase transformation, bandgap engineering and optical response for optoelectronic …
In the present work the structural, electronic and optical properties of pure CaZrO 3 have
been tuned by the magnesium (Mg) do** concentrations (1.41%, 2.82% and 4.23%) by …
been tuned by the magnesium (Mg) do** concentrations (1.41%, 2.82% and 4.23%) by …
Spin-polarised DFT modeling of electronic, magnetic, thermal and optical properties of silicene doped with transition metals
The geometric, electronic, magnetic, thermal, and optical properties of transition metal (TM)
doped silicene are systematically explored using spin-dependent density functional …
doped silicene are systematically explored using spin-dependent density functional …
A DFT study of electronic structure and optical properties of the pure, doped and co-doped CaZrO3 perovskite for photovoltaic applications
The present study investigates the effects, of V and/or N-doped CaZrO3 on the electronic
and optical properties using spin-polarized density functional theory calculations. It was …
and optical properties using spin-polarized density functional theory calculations. It was …
DFT study of tunable electronic, magnetic, thermal, and optical properties of a Ga2Si6 monolayer
The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene
are investigated using density functional theory (DFT). The effect of do** is studied by …
are investigated using density functional theory (DFT). The effect of do** is studied by …