Stephen A. Adalikwu

University of Cross River State — Nigeria

Materials Science · Physical Sciences

17h-index869citations53works2.22yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Crystallization and Solubility Studies(10), X-ray Diffraction in Crystallography(10), Metal-Organic Frameworks: Synthesis and Applications(6), Synthesis and biological activity(6), Synthesis and Characterization of Heterocyclic Compounds(5)

Publications53 total

Screening of atmospheric gases using manganese-intercalated selenium-doped porphyrins: A theoretical perspective
Journal of the Indian Chemical Society·2025
Retraction Notice to “Reactivity, Stability, and Thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM” [Journal of Ionic Liquids 2 (2022) 100030]
Journal of Ionic Liquids·2025Open Access
Retraction: Yttrium- and zirconium-decorated Mg<sub>12</sub>O<sub>12</sub>–X (X = Y, Zr) nanoclusters as sensors for diazomethane (CH<sub>2</sub>N<sub>2</sub>) gas
RSC Advances·2025Open Access
RETRACTED: Boron and oxygen decorated Zn-doped aluminum/boron nitride and graphene/boron nitride heterostructures for the adsorption of phosgene gas: Density functional theory outlook
Computational and Theoretical Chemistry·2024· 11 cited
Attenuating potential of some antioxidants: Cellgevity, max one, purslane and vitamin C on caffeine induced hormonal and testicular toxicities in male albino rats
World Journal of Advanced Research and Reviews·2024Open Access
Ab Initio Study of the Effects of d-Block Metal (Mn, Re, Tc) Encapsulation on the Electronic, Phonon, Thermodynamic, and Gravimetric Hydrogen Capacity of BaXH4 Hydride Perovskites
Journal of Electronic Materials·2023· 9 cited
Density Functional Theory Computation of the Electronic, Elastic, Phonon, X-ray Spectroscopy, and the Optoelectronic Properties of CsXI3<b>(X: Si, Ge, Sn) Halide Perovskite Materials</b>
Journal of Computational Biophysics and Chemistry·2023· 4 cited
Electronic Structure Property and Disposal Efficiency of 2,2-Dichloropropionic Acid Using Metalloid (B, Si and Ge)-Decorated Gallium Nano-clusters (Ga<sub>12</sub>X<sub>12</sub> (X = N, O))
Journal of Computational Biophysics and Chemistry·2023· 12 cited
RETRACTED: Investigating the potential of thiazolyl carbohydrazides derivatives as anti-Candida albicans agents: An intuition from molecular modelling, pharmacokinetic evaluation, and molecular docking analysis
Chemical Physics Impact·2023· 30 citedOpen Access
Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2,2-dichlorovinyldimethylphosphate agrochemical based pollutant
Scientific Reports·2023· 18 citedOpen Access
Single-metal (Cu, Ag, Au) encapsulated gallium nitride nanotube (GaNNT) as glucose nonenzymatic nanosensors for monitoring diabetes: Perspective from DFT, visual study, and MD simulation
Journal of Molecular Liquids·2023· 14 cited
Synthesis, spectral characterization, <scp>DFT</scp> studies, and computational screening of 4‐amino‐3‐mercapto‐5‐methyl‐1,2,4‐triazole and its cadmium(<scp>II</scp>) mixed ligands complexes as potential antimalaria drug
Vietnam Journal of Chemistry·2023· 8 citedOpen Access
Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach
Results in Chemistry·2023· 54 citedOpen Access
Yttrium- and zirconium-decorated Mg<sub>12</sub>O<sub>12</sub>–X (X = Y, Zr) nanoclusters as sensors for diazomethane (CH<sub>2</sub>N<sub>2</sub>) gas
RSC Advances·2023· 38 citedOpen Access
Investigation on the molecular, electronic and spectroscopic properties of rosmarinic acid: an intuition from an experimental and computational perspective
Journal of Biomolecular Structure and Dynamics·2022· 14 cited
Heteroatoms (B, N, and P) doped on nickel-doped graphene for phosgene (COCl2) adsorption: insight from theoretical calculations
Materials Today Sustainability·2022· 25 cited
B- and Al-Doped Porous 2D Covalent Organic Frameworks as Nanocarriers for Biguanides and Metformin Drugs
ACS Applied Bio Materials·2022· 19 cited
Detection of hydrogen fluoride (HF) gas by Mg12O11-X (X = S, P, N, and B) nanosurfaces
Chemical Physics Impact·2022· 30 citedOpen Access
13 Synthesis, characterization, and theoretical investigation of 4-chloro-6(phenylamino)- 1,3,5-triazin-2-yl)asmino-4- (2,4-dichlorophenyl)thiazol-5-yl-diazenyl) phenyl as potential SARS-CoV-2 agent
2022· 2 cited
Detection of Carbon, Sulfur, and Nitrogen Dioxide Pollutants with a 2D Ca<sub>12</sub>O<sub>12</sub> Nanostructured Material
ACS Omega·2022· 31 citedOpen Access
page 1 of 3Next →

Frequent Co-authors

Hitler Louis(25), Ededet A. Eno(14), Arpan Hazra(13), Tapas Kumar Maji(13), Terkumbur E. Gber(12), Adedapo S. Adeyinka(12), Tomsmith O. Unimuke(10), Henry O. Edet(8), Innocent Benjamin(7), Ernest C. Agwamba(7), Aashima Jain(7), M. S. Deenadayalan(7), ThankGod C. Egemonye(5), Victoria M. Bassey(4), Michael Akomaye Akpe(4), Tabe N. Ntui(4), John A. Agwupuye(4), Benedict I. Ita(3), Fredrick C. Asogwa(3), Wilfred Emori(3)