Direct-gap semiconducting tri-layer silicene with 29% photovoltaic efficiency

Study of charge transfer mechanism and dielectric relaxation of all-inorganic perovskite CsSnCl3

“…The optical bandgap is a major factor in such fields of science as photovoltaics, solar cells, lasers, photoluminescence, and diodes. 30,31 Finding out whether the optical bandgap nature is direct or not represents, nonetheless, one of the most prominent features of perovskite materials. 32 …”

“…The optical bandgap is a major factor in such elds of science as photovoltaics, solar cells, lasers, photoluminescence, and diodes. 30,31 Finding out whether the optical bandgap nature is direct or not represents, nonetheless, one of the most prominent features of perovskite materials. 32 Overall, the character of the bandgap transition in semiconductor materials is experimentally identied by examining the absorption spectrum and calculating the optical absorption coefficient (a) of the compound.…”

Interface structure prediction via CALYPSO method

“…In this manuscript, we propose a robust and generalized method for predicting structures of solid-solid interfaces via the CALYPSO method [17][18][19][20][21] on structure prediction, which has been applied into prediction of a variety of structures (e.g., 2D [22,23] and 3D crystals [24], 0D clusters [25,26] as well as surface reconstruction [27] and adsorption [28]). The method will be detailed in the method section and is validated by reproducing known interface structures of armchair-zigzag graphene GBs and R3…”

Synthesis, Vibrational Spectroscopy and Optical Study of Bi-Tetrabutylphosphonium Hexachlorostannate

“…The optical band gap is an important factor in several fields of science including photovoltaics, solar cells, lasers, photoluminescence, or diodes. [15,16] Fig. 8 shows the plot of [αhν)] 1/2 versus the photon energy hν which leads to the Eg value by a linear fit.…”