D Olegovich Bokov, AT Jalil, FH Alsultany… - Molecular …, 2022 - Taylor & Francis
We, the Editor and Publisher of the journal Molecular Simulation, have retracted the following article: Dmitry Olegovich Bokov, Abduladheem Turki Jalil, Forat H. Alsultany …
H Gunda, LE Klebanoff, PA Sharma… - ACS Materials …, 2021 - ACS Publications
Two-dimensional (2D) metal-boride-derived nanostructures have been a focus of intense research for the past decade, with an emphasis on new synthetic approaches, as well as on …
M Ozkan, KAM Quiros, JM Watkins, TM Nelson… - Chem, 2024 - cell.com
Nearly 85% of current human-caused CO 2 emissions result from the burning of fossil fuels, including coal, oil, and natural gas. Carbon pollution warms the planet and increases …
In this research, the adsorption behavior of pristine, Si-and Ga-and Al-doped graphene is investigated toward ethionamide (EA) using Density Functional Theory (DFT) calculations …
Density functional theory was used for investigating the effect of decorating the transitions metals Zn and Cd on the capability of an AlP nano-sheet (AlPNS) in detecting the gas COS …
V Kumar, D Azhikodan, DR Roy - Journal of Hazardous Materials, 2021 - Elsevier
Based on density functional theory investigation, we exposed the potential application of hexagonal Sb 2 C 3 nanosheet as highly sensitive material for nitrogen-containing gases …
We aim to study the interaction of different nucleobases (adenine (A), thymine (T), guanine (G), cytosine (C) and uracil (U)) with the C 24 fullerene (D 6d symmetry) and to get the …
AlB2-type metal diborides are receiving renewed interest owing to their layered crystal structure. These materials have extraordinary diversity and topology owing to multicentered …
MM Kadhim, FF Sead, AT Jalil, TZ Taban… - Monatshefte für Chemie …, 2022 - Springer
B3LYP density functional is utilized for probing the effect of decorating Al, Ga, and In on the sensing performance of a boron phosphide nanotube (BPNT) in detecting the 2 …