Search Results - "Ndjaka, J.M.B."

Computational analysis of the effect of the surface defect layer (SDL) properties on Cu(In,Ga)Se2-based solar cell performances by Ouédraogo, S., Zougmoré, F., Ndjaka, J.M.B.

“…In this article, the performances of Cu(In,Ga)Se2 (CIGS) solar cells have been modelled and numerically simulated using the one-dimensional simulation program…”
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Computational analysis of mixed cation mixed halide-based perovskite solar cell using SCAPS-1D software by Ntouga Abena, A.M., Teyou Ngoupo, A., Ndjaka, J.M.B.

“…Standard MAPbI3 (MAPI) perovskite suffers from stability and toxicity problems. In this numerical simulation study using SCAPS-1D software, we propose a hybrid…”
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Study of the structural, chemical descriptors and optoelectronic properties of the drugs Hydroxychloroquine and Azithromycin by Ejuh, G.W., Fonkem, C., Tadjouteu Assatse, Y., Yossa Kamsi, R.A., Nya, Tchangnwa, Ndukum, L.P., Ndjaka, J.M.B.

“…Density functional theory (DFT) was performed in order to predict the structural, chemical descriptors and optoelectronic properties of the drugs…”
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Ab initio investigation of nonlinear optical, electronic, and thermodynamic properties of BEDT-TTF molecule: doping with boron by Olinga Mbala, G.F., Ottou Abe, M.T., Ntieche, Z., Ejuh, G.W., Ndjaka, J.M.B.

“…In this study, the RHF, B3LYP and wB97XD methods with cc-pVDZ basis set have been used to investigate the influence of carbon atoms substitution with boron…”
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Structural, electronic and nonlinear optical properties, reactivity and solubility of the drug dihydroartemisinin functionalized on the carbon nanotube by Fouejio, D., Tadjouteu Assatse, Y., Yossa Kamsi, R.A., Ejuh, G.W., Ndjaka, J.M.B.

“…Density functional theory (DFT) calculations of the antimalarial drug dihydroartemisinin (DHA) functionalized on the carbon nanotube (CNT) were carried out in…”
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Ab-initio and density functional theory (DFT) computational study of the effect of fluorine on the electronic, optical, thermodynamic, hole and electron transport properties of the circumanthracene molecule by Tsague, L. Fomekong, Ejuh, G.W., Ngoupo, A. Teyou, Assatse, Y. Tadjouteu, Kamsi, R.A. Yossa, Abe, M.T. Ottou, Ndjaka, J.M.B.

“…In this paper, a systematic study of the electronic, optical, thermodynamic, optoelectronic, and nonlinear optical properties with RHF, B3LYP, wB97XD and BPBE…”
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Ab initio study of opto electric properties of the molecules pyrimethamine and sulfadoxine by Nouemo, S., Geh, W.E., Tchoffo, F., Ndjaka, J.M.B., Domngang, S.

“…The optical and electrical properties of the molecules pyrimethamine and sulfadoxine in gas phase and in different mediums (water and ethanol) were calculated…”
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Magnetic properties and size effects of Fe, Co, Ni nanoparticles and FePt, CoPt, NiPt nanoalloys by Eone, J.R., Ottou Abe, M.T., Ndjaka, J.M.B.

“…Using density functional theory, we determine the magnetic properties and the size effects of iron, cobalt and nickel nanoparticles and their alloys with…”
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First-principles study of stability, order and disorder based on an entropy descriptor in noble and ferromagnetic transition metal alloys by Eone, J.R., Ottou Abe, M.T., Ndjaka, J.M.B.

“…Binary alloys AB composed of ferromagnetic metals A (Fe, Co, Ni) and the late 4d−5d noble metals B (Rh, Pd, Ag, Ir, Pt, Au) have been investigated using…”
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Numerical analysis of ultrathin Sb2Se3-based solar cells by SCAPS-1D numerical simulator device by Ngoupo, A. Teyou, Ouédraogo, S., Zougmoré, F., Ndjaka, J.M.B.

“…•Simulation of Sb2Se3-based solar cells with and without HTL are compared with those of experimental.•The best PCE of 5.29% is obtained with WS2 ETL for the…”
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Theoretical studies of nanostructures modeled by the binding of uracil derivatives to functionalized (5,5) carbon nanotubes by Tadjouteu Assatse, Y., Ejuh, G.W., Yossa Kamsi, R.A., Tchoffo, F., Ndjaka, J.M.B.

“…[Display omitted] •The binding energies and vibrational analyses show that the modeled nanostructures are stable.•The thermodynamic analyses suggest that the…”
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DFT studies of the structural, chemical descriptors and nonlinear optical properties of the drug dihydroartemisinin functionalized on C60 fullerene by Fouejio, D., Yossa Kamsi, R.A., Tadjouteu Assatse, Y., Ejuh, G.W., Ndjaka, J.M.B.

“…•The structural parameters and vibrational analysis show that fC60 is stable.•The solubility of C15H24O5 in water is improved when it is functionalized on…”
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Theoretical study of optoelectronic and thermodynamic properties of molecule 4-[2-(2-N,N-dihydroxy amino thiophene)vinyl]benzanamine: Influence of hydroxyl position by Tchangnwa Nya, F., Ejuh, G.W., Ndjaka, J.M.B.

“…•B3LYP, B3PW91 and RHF methods were used with the 6−311++G∗∗ basis set.•Thermodynamics properties and open circuit voltage are determined.•Electric…”
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Theoretical analysis of minority carrier lifetime and Cd-free buffer layers on the CZTS based solar cell performances by Djinkwi Wanda, M., Ouédraogo, S., Ndjaka, J.M.B.

“…In this report, one dimensional simulation program (SCAPS-1D) has been used to study the crucial effect of minority carrier lifetime on Cu2ZnSnS4 based solar…”
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Study of the molecular structure, electronic and chemical properties of Rubescin D molecule by Yossa Kamsi, R.A., Ejuh, G.W., Mkounga, P., Ndjaka, J.M.B.

“…•IR, NMR, and coupling constant were in good agreement with experiment.•Polarizability and static hyperpolarizability were calculated.•Global reactivity…”
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Numerical investigation of solar cells based on hybrid organic cation perovskite with inorganic HTL via SCAPS-1D by ABENA, A.M. NTOUGA, NGOUPO, A. TEYOU, ABEGA, F.X. ABOMO, NDJAKA, J.M.B.

“…•MAPbI3- and MA0.5FA0.5PbI3 –based solar cells were designed, simulated, and compared with experimental results.•Numerical simulations of solar cells based on…”
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Computational study of reactivity and solubility of Rubescin D and E molecules in gas phase and in solvent media using Hartree-Fock and DFT methods by Yossa Kamsi, R.A., Ejuh, G.W., Tadjouteu Assatse, Y., Njeumen, C.A., Tchoffo, F., Ndjaka, J.M.B.

“…•The global and local reactivity descriptors were calculated.•Rubescin D and E are more reactive in water than in other used solvent.•The partition coefficient…”
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Study of electronic structure, optoelectronics, linear and nonlinear optical properties and chemical descriptors of dibromodinitrofluorescein isomers in gasphase and solvent media using abinitio and DFT methods by Fankam Fankam, J.B., Ejuh, G.W., Nya, F. Tchangnwa, Ndjaka, J.M.B.

“…•RHF and DFT(B3LYP) methods were used employing cc-pVDZ basis set both is gas phase and in solvent.•Ionization energy, electric susceptibility, refractive…”
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DFT studies of nanomaterials designed by the functionalization of modified carboxylated carbon nanotubes with biguanide derivatives for nanomedical, nonlinear and electronic applications by Tadjouteu Assatse, Y., Ejuh, G.W., Tchoffo, F., Ndjaka, J.M.B.

“…•Reaction energies reveal the possibility of synthesis of the modeled nanomaterials.•The Gibbs free energies of solvation of these nanomaterials show good…”
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Numerical analysis of CdS-CIGS interface configuration on the performances of Cu(In,Ga)Se2 solar cells by Guirdjebaye, N., Ngoupo, A. Teyou, Ouédraogo, S., Tcheum, G.L. Mbopda, Ndjaka, J.M.B.

“…•The P+ and SDL models eliminate the recombination at the CdS-CIGS interface.•The SDL model electrical parameters are better optimized compared to the P+…”
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