Search Results - "Nya, Tchangnwa"
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Materials and interfaces properties optimization for high-efficient and more stable RbGeI3 perovskite solar cells: optoelectrical modelling
Published in Scientific reports (19-09-2023)“…In this research work, we investigated the effects of a broad set of materials properties and external operating parameters on the opto-electrical output of a…”
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Comparative study of optoelectronic, thermodynamic, linear and nonlinear optical properties of methyl phenalenyl doped to zinc and copper and their applications
Published in Journal of materials science. Materials in electronics (01-05-2020)“…In this study, we have determined the molecular structures of methyl phenalenyl doped to zinc and copper, their optoelectronic, thermodynamic, and linear and…”
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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
Published in Materials letters (01-09-2017)“…•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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Optoelectrical, electronic, and thermodynamic DFT study of a carbon nanoring and its derivative: application as active layer material in organic solar cell performance improvement and nonlinear optics
Published in Journal of molecular modeling (01-01-2023)“…Optoelectrical, electronic, and thermodynamic properties of {6}cycloparaphenylene ({6}CPP) and its derivative, N,N-dimethyl-diaza{6}cycloparaphenylene…”
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5
Theoretical study of optoelectronic properties of the molecule 2-cyano-3-[4-(diphenylamino)phenyl] acrylic acid
Published in Journal of the Iranian Chemical Society (01-03-2020)“…2-Cyano-3-[4-(diphenylamino)phenyl]acrylic acid is one of the most important dyes used in DSSC. In this work, the RHF and DFT (B3LYP and WB97XD) methods along…”
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6
Hartree-Fock and DFT studies of the optoelectronic, thermodynamic, structural and nonlinear optical properties of photochromic polymers containing styrylquinoline fragments
Published in Materials chemistry and physics (01-04-2022)“…Hartree-Fock (HF) and Density Functional Theory (DFT) were used to investigate the structural, optoelectronic, thermodynamic and nonlinear optical properties…”
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Doping of some corannulenes of general formula C5n2H5n (n = 2,3,4) with boron–nitride (B–N) units at the rim position: applications in electronics, optoelectronics and nonlinear optics devices
Published in Polymer bulletin (Berlin, Germany) (01-04-2024)“…The electronic, optoelectronic, linear and nonlinear optical (NLO) properties of some corannulenes of formula C 5n 2 H 5n (with n = [2,4]), doped with…”
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Density functional theory study of optoelectronic, nonlinear optical, piezoelectric and thermodynamic properties of poly (3,4-ethylenedioxythiophene), poly(3,4-ethylenedioxyselenophene) and their derivatives
Published in Optical and quantum electronics (01-08-2020)“…In this work, we have investigated the optoelectronic, nonlinear optical, piezoelectric and thermodynamic properties of the poly…”
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Theoretical investigation of the molecular structure, vibrational spectra, thermodynamic and nonlinear optical properties of 4, 5-dibromo-2, 7dinitro- fluorescein
Published in Optical and quantum electronics (01-06-2020)“…In this article, we have investigated the structural analysis, thermodynamics, nonlinear properties and vibrational analysis of…”
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10
Glass transition in hard-core fluids and beyond, using an effective static structure in the mode coupling theory
Published in The European physical journal. E, Soft matter and biological physics (01-02-2017)“… The dynamical arrest in classical fluids is studied using a simple modification of the mode coupling theory (MCT) aimed at correcting its overestimation of…”
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11
Organic solar cell efficiency improvement through architecture engineering by integrating carbon nanoring – SCAPS 1D modelling
Published in Materials chemistry and physics (15-09-2024)“…This research work aims to investigate on improving the performance of organic solar cells (OSC) by proposing new architectures that progressively integrate…”
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Novel Perovskite solar cell: Incorporating CNTs and Cu2O as charge carriers transport materials for performance enhancement – Opto-electrical modelling
Published in Materials letters (15-04-2023)“…•High performance and stable PSC are obtained by incorporating CNT and Cu2O materials.•Theoretical PCE of 25.31% and FF of 73% are obtained with CNT and Cu2O…”
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13
Electronic structure, physico-chemical, linear and non linear optical properties analysis of coronene, 6B-, 6N-, 3B3N- substituted C24H12 using RHF, B3LYP and wB97XD methods
Published in Optical and quantum electronics (01-11-2017)“…In this work we have investigated the effects of substituting carbon atoms with B, N and BN on the electronic structure, physico-chemical, linear and non…”
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14
Data of electronic, reactivity, optoelectronic, linear and non-linear optical parameters of doping graphene oxide nanosheet with aluminum atom
Published in Data in brief (01-04-2022)“…We have established a design to increase the absorption capacity, optoelectronic, linear and nonlinear optical properties of the graphene oxide nanosheet (GON)…”
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15
Study of some properties of quinone derivatives from quantum chemical calculations
Published in Optical and quantum electronics (01-09-2018)“…The electronic energies, electronic structures and the linear and non linear optical properties of some Quinone derivative have been calculated by adopting the…”
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16
Improving the absorption spectrum and performance of CIGS solar cells by optimizing the stepped band gap profile of the multilayer absorber
Published in Solar energy (01-07-2022)“…•The optimal stepped band gap profile is obtained by stacking three CIGS layers with different gallium contents, ranked in ascending order, the lowest gallium…”
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Theoretical study on the electronic, optoelectronic, linear and non linear optical properties and UV–Vis Spectrum of Coronene and Coronene substituted with Chlorine
Published in SN applied sciences (01-07-2020)“…We have study electronic, optoelectronic, linear and nonlinear optical; thermodynamic properties and UV–Vis Spectrum of Coronene and Coronene substituted with…”
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Determination of the structural, electronic, optoelectronic and thermodynamic properties of the methylxanthine molecules theophylline and theobromine
Published in Optical and quantum electronics (2020)“…RHF and DFT (wB97XD and B3LYP) methods with the 6-31++G** basis set have been used to study structural, optoelectronic and thermodynamic properties of…”
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Theoretical prediction of holes and electrons mobility in coronene and perchlorocoronene crystals: Application of the Marcus–Jortner–Levich Theory
Published in Materials science in semiconductor processing (01-01-2025)“…The study focused on theoretically predicting charge carrier mobilities in coronene and perchlorocoronene crystals using the Marcus–Levich–Jortner approach. By…”
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DFT investigation of Percyanation effect of coronene molecule: Comparative study with their Perhalogenated counterparts
Published in Polymer bulletin (Berlin, Germany) (01-11-2022)“…We have investigated the structures, electronic properties, hole and electron mobilities of perfluorinated, perchlorinated and percyanated coronene molecules,…”
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