Udochukwu G. Chukwu

ORCID, self-asserted

ORCID 0000-0001-6934-394X

Publications

Citations

265

h-index

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

i10-index

Publications

15 works in the graph, newest first.

Effects of metals (X = Be, Mg, Ca) encapsulation on the structural, electronic, phonon, and hydrogen storage properties of KXCl3 halide perovskites: Perspective from density functional theory
2023International Journal of Hydrogen EnergyJournal46 citations10.1016/j.ijhydene.2023.07.099
Electronic, optical, phonon properties, elastic, and the hydrogen storage density of CsXBr3 (X: Be, Mg, Ca) perovskites: Ab-initio calculations and molecular dynamic (MD) simulation
2023Journal of Physics and Chemistry of SolidsJournal29 citations10.1016/j.jpcs.2023.111636
Gas-Phase Interaction of CO, CO2, H2S, NH3, NO, NO2, and SO2 with Zn12O12 and Zn24 Atomic Clusters
2023ACS OmegaJournalOpen access65 citations10.1021/acsomega.3c01177
Toward Site-Specific Interactions of nH2 (n = 1–4) with Ga12As12 Nanostructured for Hydrogen Storage Applications
2023Energy & FuelsJournalFirst author17 citations10.1021/acs.energyfuels.2c03481
Ab-initio investigation of the fundamental properties of metals (X = Be, Mg, and Ca) encapsulated CsXO3 tin-based perovskite materials
2023Results in OpticsJournalOpen access16 citations10.1016/j.rio.2023.100506
Quantum chemical investigation of the electronic, optoelectronic, X-ray spectroscopy, and hydrogen storage capacity of AHfO3/BAgO3 (A = Cs, Ag; B = Hf, Cs) perovskite materials
2023Results in ChemistryJournalOpen access13 citations10.1016/j.rechem.2023.101081
RETRACTED: Modelling of Tungsten (C 59 W), Osmium (C 59 O s ), and Platinum (C 59 Pt) Doped Fullerenes for Drug Delivery of Biguanides (BNG) and Metformin (MET): DFT Perspective
2023ChemistrySelectJournal11 citations10.1002/slct.202203298
Density Functional Theory Computation of the Electronic, Elastic, Phonon, X-ray Spectroscopy, and the Optoelectronic Properties of CsXI3(X: Si, Ge, Sn) Halide Perovskite Materials
2023Journal of Computational Biophysics and ChemistryJournal6 citations10.1142/s2737416523420115
Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X = O, S, Se and Te) perovskites
2023Chemistry of Inorganic MaterialsJournalOpen access12 citations10.1016/j.cinorg.2023.100007
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
2023Journal of Electronic MaterialsJournal10 citations10.1007/s11664-023-10759-2
Synthesis, spectral characterization, DFT studies, and computational screening of 4‐amino‐3‐mercapto‐5‐methyl‐1,2,4‐triazole and its cadmium( II ) mixed ligands complexes as potential antimalaria drug
2023Vietnam Journal of ChemistryJournalOpen access9 citations10.1002/vjch.202200110
Ab-initio study of structural, electronic, phonon, X-ray spectroscopy, and the optoelectronic properties of D-block metals (Cr, Mn, Co, and Ni) substitution of barium oxide based-perovskites
2023Chemical Physics ImpactJournalOpen access8 citations10.1016/j.chphi.2023.100321
Impact of polypyrrole units (pyr*n; n=3, 5, 7, or 9) on the adsorption and excitation dynamics of enrofloxacin antibiotic interaction with hafnium-doped graphene/boron nitride (Hf@GP/BN) heterostructure: A theoretical perspective
2023Materials Today CommunicationsJournalFirst author0 citations10.1016/j.mtcomm.2023.107758
Assessing the Performance of Transition Metals (M = Hf, Ti, and Zr) Decorated Silicon Carbide Nanotubes (M@SiCNTs) for Hydrogen Storage Applications: Insights from Theoretical Calculations
2023ACS Applied Energy MaterialsJournalFirst author6 citations10.1021/acsaem.3c02555
Molecular modeling of the photovoltaic properties of amino naphthalene and N-alkylated-isoquinoline dye
2022Journal of the Indian Chemical SocietyJournal17 citations10.1016/j.jics.2022.100739