This article investigates the physical properties of lead-free tin-and germanium-based halide
perovskites under pressure via the density functional theory to use as potential photovoltaic …

With the help of the weight loss, and electrochemical techniques the suppressing action of
the commercially available ionic liquid, 1-butylpyrrolidinium chloride [BPm1, 1] Cl for carbon …

This paper includes the structural properties, transition state analysis and NLO properties of
the ionic liquids in quantum chemical calculations. Hydrogen bond geometries calculated by …

Utilizing ab-initio modeling, this study analyzes the possibility of replacing Lead with
Francium halide perovskite for use in potential photovoltaic or optoelectronic device …

Solid-state polymer electrolytes (SSPE) have emerged as a safer and more durable
alternative to liquid electrolytes in future batteries and supercapacitors. Herein, we present a …

The adsorption of toxic gases such as NH 3, SO 2, H 2 S, on 1, 3 bis (4-nitrophenyl) urea
(BNPU) was investigated via the M062X/6–311++ g (d, p) level of theory to evaluate the …

Nonlinear optical phenomena play significant roles in the bulk properties and responsive
characteristics of ionic liquids, especially when used under strong electric fields. The …

In this work the role that charge delocalization plays in the non-linear optical response of
ionic liquids is evaluated. The first hyperpolarizability for the non-linear process of second …

The electronic structure, inter-ionic interactions and charge transfer, polarizability, and first-
order and second-order hyperpolarizabilities of 1-butyl-3-methylimidazolium dicyanamide …

A novel complex silver nitrate of 5-iodindole molecule has been synthesized and
characterized by single-crystal X-ray diffraction, infrared and Raman spectroscopy, and 1 H …