Mahamadou Seydou

Metallocene-based molecule junctions: Electron transport across Au||Au and Au||graphene electrodes

Chang Liu, Jianbo Li, Yijia Wang, Chenguang Liu et autres

gb, cn, fr, au (code pays fourni par la source)

DFT Insights into the Be12O12 Nanocage as a Promising Nanomaterial for Amino Acid Detection

Seyfeddine Rahali, Abdallah Zaiter, Ridha Ben Said, Samir Kenouche et autres

sa, Algérie, bd, fr (code pays fourni par la source)

DFT analysis of fenethylline (Captagon): Investigating its interaction with graphene as a potential adsorbent

Valbonë Mehmeti, Vllaznim Mula, Moussa Djibrilla Maiga, Mahamadou Seydou et autres

Fenethylline, commonly known as Captagon, is a stimulant with amphetamine-like properties that has gained notoriety due to its widespread illicit use, particularly in conflict zones. Its ease of synthesis and environmental persistence necessitate effective remediation strategies. This study investigates the adsorption potential …

xk, Mali, fr, kr, tr (code pays fourni par la source)

Theoretical Study of Cu (II) and Pb (II) Adsorption on Amine Functionalized Porous Carbon

Rachid Oukhrib, Salaheddine Farsad, Mohamed Benafqir, Авни Бериша et autres

The current study was carried out by determining structural and energetic parameters to theoretically validate the experimental results of the adsorption efficiency of amine-functionalized porous carbon for the elimination of Cu2+ ions and Pb2+ and detail the reaction mechanism in the aqueous …

Maroc, xk, es, fr, sa (code pays fourni par la source)

Solvent and Deposition Method-Driven Optimization of Carbazole Phosphonic Acid Monolayers for Controlled Perovskite Growth on ITO Substrates

Yahya Hami, Philippe Decorse, Sarra Gam‐Derouich, Mahamadou Seydou et autres

This study investigates the optimization of (2-(3,6-dimethoxy-9H-carbazol-9-yl)ethyl)phosphonic acid (MeO-2PACz) ultrathin self-assembled monolayers (SAMs) on indium tin oxide (ITO) substrates, which serve as templates for the controlled growth of methylammonium lead iodide perovskite films. The influence of solvent composition and deposition method on …

fr (code pays fourni par la source)

Hard carbon anode from sodium lignosulfonate-formaldehyde resin for sodium-ion batteries

Ismaila El Moctar, Moussa Diawara, Mahamadou Seydou, Jie Yu et autres

cn, Mali, fr (code pays fourni par la source)

Efficient and rapid removal of toxic Cu2+ ions from wastewater using β-Bi2O3@TiO2 nanosorbent: Experimental and quantum chemical investigations

Abuzar E. A. E. Albadri, Youghourta Belhocine, Laila S. Alqarni, Mohamed Ali Ben Aissa et autres

sa, Algérie, fr (code pays fourni par la source)

Unraveling boric acid interactions with macrocyclic hosts: DFT insights into the key role of hydrogen bonding in complex stabilization

Nihad Mekarba, Ferial Krid, Youghourta Belhocine, Abdelaziz Bouhadiba et autres

Algérie, sa, us, es, fr, Mali (code pays fourni par la source)

Marcus Theory and Long-Range Activationless Transport in Molecular Junctions

Sylvain Pitié, Yannick J. Dappe, François Maurel, Mahamadou Seydou et autres

Intrachain transport in molecular junctions (MJs) longer than 5 nm has been modeled within the theoretical framework of Marcus theory. We show that in oligo(bisthienylbenzene)-based MJs, electronic transport involves polarons, localized on three monomers that are close to 4 nm in length. …

fr (code pays fourni par la source)

Exploring the mechanism of nerve agent (Tabun and Sarin) adsorption on carbon nanocones: Computational insights

Veton Haziri, Авни Бериша, Majlinda Haliti, Savaş Kaya et autres

xk, tr, fr (code pays fourni par la source)

Advancements in polyol synthesis: expanding chemical horizons and Néel temperature tuning of CoO nanoparticles

Miran Baričić, Jorge M. Núñez, Myriam H. Aguirre, David Hrabovsky et autres

Abstract The polyol synthesis of CoO nanoparticles (NPs) is typically conducted by dissolving and heating cobalt acetate tetrahydrate and water in diethylene glycol (DEG). This process yields aggregates of approximately 100 nm made of partially aligned primary crystals. However, the synthesis demands …

it, fr, ar, es (code pays fourni par la source)

Ab-initio study of the structural, elastic and dislocation properties of body-centered cubic refractory HfNbTaTiZr high entropy alloy

Asif Iqbal Bhatti, David Tingaud, Mahamadou Seydou, Sylvain Queyreau

This study delves into bcc HfNbTaTiZr refractory high entropy alloys, focusing on the $\frac{1}{2}\langle111\rangle$ screw dislocation core structures. While traditional observations in pure elements often revealed compact dislocation cores, our investigation reveals variability, including instances of compact, split, or degenerate cores. Building …