Udochukwu G. Chukwu

发表

Molecular modeling of the photovoltaic properties of amino naphthalene and N-alkylated-isoquinoline dye

H. Louis, E. A. Eno, U. Ameuru, 2022, Journal of the Indian Chemical Society.

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

Adedapo S. Adeyinka, Fredrick C. Asogwa, I. Benjamin, 2023, ChemistrySelect.

Ab-initio investigation of the fundamental properties of metals (X = Be, Mg, and Ca) encapsulated CsXO3 tin-based perovskite materials

Adedapo S. Adeyinka, A. A. Ayi, H. Louis, 2023, Results in Optics.

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

S. Ghotekar, Adedapo S. Adeyinka, E. Agwamba, 2023, International Journal of Hydrogen Energy.

Ab Initio Study of the Effects of d-Block Metal (Mn, Re, Tc) Encapsulation on the Electronic, Phonon, Thermodynamic, and Gravimetric Hydrogen Capacity of BaXH_4 Hydride Perovskites

Adedapo S. Adeyinka, S. A. Adalikwu, H. Louis, 2023, Journal of Electronic Materials.

Electronic, optical, phonon properties, elastic, and the hydrogen density of CsXBr3 (X: Be, Mg, Ca) perovskites: Ab-initio calculations and molecular dynamic (MD) simulation

Adedapo S. Adeyinka, T. Magu, E. Agwamba, 2023, Journal of Physics and Chemistry of Solids.

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

Adedapo S. Adeyinka, T. Gber, T. Unimuke, 2023, ACS Applied Energy Materials.

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

Tse-Wei Chen, A. M. Al-Mohaimeed, Anthony M. S. Pembere, 2023, Materials Today Communications.

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

A. Owen, S. A. Adalikwu, O. E. Offiong, 2023, Vietnam Journal of Chemistry.

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

Adedapo S. Adeyinka, T. Magu, E. A. Eno, 2023, Chemical Physics Impact.