Interplay of quantum capacitance with Van der Waals forces, intercalation, co-intercalation, and the number of MoS2 layers

AH Biby, BA Ali, NK Allam - Materials Today Energy, 2021 - Elsevier
Polymorph MoS 2 attracts great attention for supercapacitor and Li-ion battery applications.
Although the capacitance origin is usually attributed to the intercalation process, MoS 2 …

Theoretical study of triphenylamine-based organic dyes with mono-, di-, and tri-anchoring groups for dye-sensitized solar cells

N Wazzan, A Irfan - Organic Electronics, 2018 - Elsevier
In this report, DFT and TDDFT calculations used to explain the noticeable difference in the
power conversion efficiencies (PCEs) of three reported triphenylamine-based organic dyes …

A first-principles roadmap and limits to design efficient supercapacitor electrode materials

BA Ali, NK Allam - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
Our life is turning into an electronic world where we need our devices charged all the time.
Although batteries have been doing the job so far, we need devices that charge way faster …

Enhanced photoelectrochemical water splitting characteristics of TiO2 hollow porous spheres by embedding graphene as an electron transfer channel

N Ahmed, AA Farghali, WMA El Rouby… - international journal of …, 2017 - Elsevier
The generation of renewable solar fuel through photoelectrochemical water splitting is
hindered by the inability to identify the right material with the optimum optical, electrical and …

Promising architectures modifying the D-π-A architecture of 2, 3-dipentyldithieno [3, 2-f: 2′, 3′-h] quinoxaline-based dye as efficient sensitizers in dye-sensitized …

N Wazzan, A Irfan - Materials Science in Semiconductor Processing, 2020 - Elsevier
Abstract As reported,(E)-2-cyano-3-(2, 3-dipentyl-9-(7-(4-(p-tolyl)-1, 2, 3, 3a, 4, 8b-
hexahydrocyclopenta [b] indol-7-yl) benzo [c](Cui and et al., 2019; He and et al., 2017; Feng …

Light harvesting and optical-electronic properties of two quercitin and rutin natural dyes

D Zhao, Q Lu, R Su, Y Li, M Zhao - Applied Sciences, 2019 - mdpi.com
The photovoltaic properties of two dyes (quercitin (Q) and rutin (R)) were experimentally
investigated. The results showed that Q had excellent photoelectric properties with J sc of …

Toward the proper selection of carbon electrode materials for energy storage applications: experimental and theoretical insights

BA Ali, AH Biby, NK Allam - Energy & Fuels, 2021 - ACS Publications
Identifying the proper carbon material is one of the key requirements in developing high-
performance supercapacitor electrodes. Carbon nanotubes (CNTs), graphene nanoplatelets …

Research on the molecular structure, solvent effects, quantum computing, topology, and biological aspects of 4-phenylcoumarin-7-yl-methacrylate as an anticancer …

F Akman - Journal of Molecular Structure, 2025 - Elsevier
The objective of this research is to conduct both experimental and theoretical analyses on
the synthesis and characterization of a new coumarin derivative known as 4 …

Synthesis, experimental and theoretical spectra, electronic and medicinal properties of 3-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-ethoxy-4H-1, 2, 4-triazole

MBA Titlin, TR Beena, M Nikpassand, F Akman… - Journal of Molecular …, 2025 - Elsevier
Abstract In this work, 3-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-ethoxy-4H-1, 2, 4-
triazole compound has been synthesized and experimentally (FT-IR and 1H and 13Csingle …

S7ynthesis and investigation of double alternating azo group in novel para-azo dyes containing nitro anchoring group for solar cell application

H Etesami, M Mansouri, A Habibi… - Journal of Molecular …, 2020 - Elsevier
To study the effect of Thiazole (as a heterocycle with donation group) in DSSCs, sample A
was made without heterocycle, samples B and C contain one Thiazole and various donor …