Volume 5 (2022)
Volume 4 (2021)
Volume 3 (2020)
Volume 2 (2019)
Volume 1 (2018)
Author = Ajoy Kumer
Number of Articles: 5
Investigation of Structural, Electronic, and Optical Properties of SrTiO3 and SrTi0.94Ag0.06O3 Quantum Dots Based Semiconductor Using First Principle Approach
Volume 5, Issue 2 , April 2022, , Pages 164-174
Abstract
Due to the legitimate crystal size of SrTiO3, in this work, a synthesized compound was introduced and structurally characterized as the quantum dots. The crystal of SrTiO3 was designed ... Read More
Theoretical Investigation of Doping Effect of Fe for SnWO4 in Electronic Structure and Optical Properties: DFT Based First Principle Study
Volume 3, Special Issue , September 2020, , Pages 639-644
Abstract
In this work, the electronic band structures, total density of state, partial density of state, and optical properties were investigated using the first principle method for SnWO4 ... Read More
Electronics Structure and Optical Properties of Ag2BiO3, (Ag2)0.88Fe0.12BiO3: A First Principle Approach
Volume 3, Issue 4 , July and August 2020, , Pages 542-550
Abstract
Electronic band structures, the total density of state, partial density of state and optical properties were investigated using first principle method for Ag2BiO3 via Generalized Gradient ... Read More
The prediction and theoretical study for chemical reactivity, thermophysical and biological activity of morpholinium nitrate and nitrite ionic liquid crystals: A DFT study
Volume 2, Issue 4 , September 2019, , Pages 316-326
Abstract
As the morpholine and morphine have been used all over the world as pain killer drugs even used in cancer treatment, so the morpholine is more demanding chemical molecule. In our work, ... Read More
The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry
Volume 2, Issue 3 , July 2019, , Pages 190-202