[HTML][HTML] Rational design of boron nitride with different dimensionalities for sustainable applications
The application of boron nitride (BN) nanomaterials in various fields received extensive
attention in the past decades, attributed to its extraordinary characteristics: high surface …
attention in the past decades, attributed to its extraordinary characteristics: high surface …
[HTML][HTML] Insights into the thermal stability and conversion of carbon-based materials by using ReaxFF reactive force field: Recent advances and future directions
Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the dynamics evolution of complex carbonaceous materials. A …
powerful tool for exploring the dynamics evolution of complex carbonaceous materials. A …
Experimental and detailed DFT/MD simulation of α-aminophosphonates as promising corrosion inhibitor for XC48 carbon steel in HCl environment
Background Corrosion is a pervasive issue in several industries, causing safety hazards and
substantial economic losses. α-aminophosphonate substances have recently garnered …
substantial economic losses. α-aminophosphonate substances have recently garnered …
Molecular guide for selecting green deep eutectic solvents with high monosaccharide solubility for food applications
Monosaccharides play a vital role in the human diet due to their interesting biological activity
and functional properties. Conventionally, sugars are extracted using volatile organic …
and functional properties. Conventionally, sugars are extracted using volatile organic …
Multitask Neural Network for Mapping the Glass Transition and Melting Temperature Space of Homo- and Co-Polyhydroxyalkanoates Using σProfiles Molecular …
Polyhydroxyalkanoates (PHAs) are an emerging type of bioplastic that have the potential to
replace petroleum-based plastics. They are biosynthetizable, biodegradable, and …
replace petroleum-based plastics. They are biosynthetizable, biodegradable, and …
Biosorption of zinc (II) from synthetic wastewater by using Inula Viscosa leaves as a low-cost biosorbent: Experimental and molecular modeling studies
The use of biosorption as a strategy for lowering the amount of pollution caused by heavy
metals is particularly encouraging. In this investigation, a low-cost and efficient biosorbent …
metals is particularly encouraging. In this investigation, a low-cost and efficient biosorbent …
New insights on the adsorption of CI-Reactive Red 141 dye using activated carbon prepared from the ZnCl2-treated waste cotton fibers: Statistical physics, DFT …
This study aims to develop and apply new adsorbents derived from cotton fiber waste. ZnCl
2 was used to activate the activated carbon chemically. The textile industry's waste is readily …
2 was used to activate the activated carbon chemically. The textile industry's waste is readily …
Effective removal of cationic dye on activated carbon made from cactus fruit peels: a combined experimental and theoretical study
This article investigates experimentally and theoretically the adsorption of Basic Red 46
cationic dye (BR46) using activated carbon generated from cactus fruit peels (ACCFP). The …
cationic dye (BR46) using activated carbon generated from cactus fruit peels (ACCFP). The …
Synthesis, electrochemical, and quantum chemical studies of some metal complexes: Mn (II), Co (II), and Zn (II) with 2-furaldehyde semicarbazone
In this study, we conducted experimental and computational investigations of a Schiff base
and its metal complexes. The azote atom coordinates with the metal according to the FT-IR …
and its metal complexes. The azote atom coordinates with the metal according to the FT-IR …
Effect of the stearic acid-modified TiO2 on PLA nanocomposites: Morphological and thermal properties at the microscopic scale
A Deghiche, N Haddaoui, A Zerriouh, SE Fenni… - Journal of …, 2021 - Elsevier
In this work, a route is developed to synthesize nanocomposites based on polylactic acid
(PLA) and stearic acid-modified TiO 2 nanoparticles (TiO 2-SA). The nanocomposite is …
(PLA) and stearic acid-modified TiO 2 nanoparticles (TiO 2-SA). The nanocomposite is …