Ismail O. Amodu

ORCID, self-asserted

ORCID 0000-0003-3537-2085

Publications

Citations

727

h-index

Computed over the works the graph holds, so it is a floor rather than a career figure.

i10-index

Publications

31 works in the graph, newest first.

Yttrium-encapsulated tin-decorated carbon-based fullerene (Sn-Y@C80) nanostructured as a sensor for AsH3, NH3, PH3 and SbH3: insight from DFT and QTAIM
2026Proceedings of the Indian National Science AcademyJournal0 citations10.1007/s43538-026-00893-w
Computational investigation of platinum-encapsulated, copper-decorated fullerene (Cu-Pt@C60) for the detection and adsorption of SF6 decomposition gases
2025Journal of Nanoparticle ResearchJournalFirst authorCorresponding4 citations10.1007/s11051-025-06431-x
Preparation of novel [Co(SCN) 4 ] hybrid material: crystal structure investigation, DFT mechanistic analysis, antioxidant activity, and molecular docking study for potential inflammatory disorder control
2024Journal of Sulfur ChemistryJournalOpen access7 citations10.1080/17415993.2024.2334948
Mn-doped covalent organic framework (COF), graphene, and their nanocomposite (Mn@GP/COF) as sensors for oil-dissolved gases in transformer: A computational study
2024Materials Today CommunicationsJournalFirst authorCorresponding15 citations10.1016/j.mtcomm.2024.108363
Tailoring adsorbents for levodopa detection: a DFT study on Pt-encapsulated fullerene systems
2024RSC AdvancesJournalOpen access8 citations10.1039/d4ra03526g
Engineering of covalent organic framework (COF) via mono-doping and co-doping for the detection of CO2 gas pollutant
2024Next MaterialsJournalOpen access8 citations10.1016/j.nxmate.2024.100460
Adsorption and sensor performance of transition metal-decorated zirconium-doped silicon carbide nanotubes for NO 2 gas application: a computational insight
2024RSC AdvancesJournalOpen accessFirst author5 citations10.1039/d3ra08796d
Computational modelling of graphene/aluminum nitride (GP/AlN) hybrid materials for the detection of 2,4 dichlorophenoxyacetic acid (DCP) pollutant
2024RSC AdvancesJournalOpen access3 citations10.1039/d4ra03345k
Chemically effect of small molecules (X = CF3, COOH, NH2, NO2) functionalized covalent organic framework (X–COF) as sensors for glyphosate: A computational study
2024Chemical Physics ImpactJournalOpen access6 citations10.1016/j.chphi.2024.100510
Novel engineering of single-metals (TM: Cr, Mo, W) chemical tailoring of Pt-encapsulated fullerenes (Pt@C59TM) as dual sensors for H2CO and H2S gases: A theoretical study
2024Chemical PapersJournal4 citations10.1007/s11696-024-03525-z
Yttrium- and zirconium-decorated Mg 12 O 12 –X (X = Y, Zr) nanoclusters as sensors for diazomethane (CH 2 N 2 ) gas
2023RSC AdvancesJournalOpen access40 citations10.1039/d3ra02939e
Effects of alkali-metals (X = Li, Na, K) doping on the electronic, optoelectronic, thermodynamic, and X-ray spectroscopic properties of X–SnI3 halide perovskites
2023Computational Condensed MatterJournal31 citations10.1016/j.cocom.2023.e00798
Design of new bithieno thiophene (BTTI) central core-based small molecules as efficient hole transport materials for perovskite solar cells and donor materials for organic solar cells
2023Materials Science and Engineering BJournal43 citations10.1016/j.mseb.2023.116392
Organochlorine detection on transition metals (X=Zn, Ti, Ni, Fe, and Cr) anchored fullerenes (C 23 X)
2023ChemistrySelectJournal19 citations10.1002/slct.202203843
Anticancer Activities of Re(I) Tricarbonyl and Its Imidazole-Based Ligands: Insight from a Theoretical Approach
2023ACS OmegaJournalOpen access16 citations10.1021/acsomega.2c07779
Trapping of dichlorosilane (H2SiCl2) gas by transition metals doped fullerene nanostructured materials
2023Journal of the Indian Chemical SocietyJournal13 citations10.1016/j.jics.2023.100940
Influence of alkaline-earth metals (B = Be, Mg, Ca) doping on the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopic studies of CsBCl3 halide perovskites
2023Journal of Materials ScienceJournal15 citations10.1007/s10853-023-08446-y
Modeling the Interactionof F-gases on Ruthenium-Doped Boron Nitridenanotube
2023Chemistry AfricaJournal5 citations10.1007/s42250-023-00645-z
Fe and Au-codoping of molybdenum carbide (MoC) nanosheet for hydrogen adsorption
2023Materials Science in Semiconductor ProcessingJournal5 citations10.1016/j.mssp.2023.107402
Single-crystal X-ray, spectroscopy, quantum chemical calculations, and molecular docking investigation of ruthenium (II) polypyridyl complexes of curcumin as a potential chemotherapy drug in the treatment of malignant glioblastoma (GBM)
2023Chemical PapersJournal3 citations10.1007/s11696-023-03184-6
Modeling of Ca12O12, Mg12O12, and Al12N12 nanostructured materials as sensors for phosgene (Cl2CO)
2022Materials Today CommunicationsJournal93 citations10.1016/j.mtcomm.2022.103946
RETRACTED: Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)
2022ACS OmegaJournalOpen access79 citations10.1021/acsomega.2c04044
Sensor behavior of transition-metals (X = Ag, Au, Pd, and Pt) doped Zn11-X-O12 nanostructured materials for the detection of serotonin
2022Materials Today CommunicationsJournal38 citations10.1016/j.mtcomm.2022.105048
Modeling of Al12N12, Mg12O12, Ca12O12, and C23N nanostructured as potential anode materials for sodium-ion battery
2022Journal of Solid State ElectrochemistryJournal30 citations10.1007/s10008-022-05300-0
Modeling of Re(I) tricarbonyl complexes against SARS-CoV-2 receptor via DFT, in-silico molecular docking, and QSAR
2022Chemical Physics ImpactJournalOpen access28 citations10.1016/j.chphi.2022.100105
Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU): insight from theoretical computation
2022Zeitschrift für Physikalische ChemieJournal54 citations10.1515/zpch-2022-0126
Halides (Cl, F, and Br) encapsulated Ga12As12 nanocages used to improve the cell voltage for enhanced battery performance
2022Journal of Physics and Chemistry of SolidsJournalSenior author54 citations10.1016/j.jpcs.2022.111174
Crystal structure analysis, magnetic measurement, DFT studies, and adsorption properties of novel 1-(2,5-dimethyphenyl)piperazine tetrachlorocobaltate hydrate
2022Materials Today CommunicationsJournal35 citations10.1016/j.mtcomm.2022.104965
RETRACTED: Assessing the Performance of Al 12 N 12 and Al 12 P 12 Nanostructured Materials for Alkali Metal Ion (Li, Na, K) Batteries
2022ACS OmegaJournalOpen access25 citations10.1021/acsomega.2c04319
Modeling of Mg12O11–X (X = B, N, P and S) Nanostructured Materials as Sensors for Melamine (C3H6N6)
2022Journal of Computational Biophysics and ChemistryJournal21 citations10.1142/s2737416522500454
Modeling the structural, electronic, optoelectronic, thermodynamic, and core-level spectroscopy of X–SnO3 (X=Ag, Cs, Hf) perovskites
2022Computational and Theoretical ChemistryJournal20 citations10.1016/j.comptc.2022.114003