Search Results - "Mejía‐López, José"
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Charge transfer evidence in donor–acceptor single‐walled carbon nanotubes filled with sexithiophene oligomers: Nanotube diameter dependence
Published in Journal of Raman spectroscopy (01-08-2021)“…Encapsulation of photoactive organic molecules inside single‐walled carbon nanotubes (SWNTs) appears to be of great interest in terms of high power conversion…”
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Role of carbon nanotubes as an acceptor to enhance the photovoltaic performances of organic solar cells based on π‐conjugated thiophene as a donor materials
Published in International journal of energy research (01-09-2021)“…Summary Filled semiconducting single‐walled carbon nanotubes (SWNTs), with π‐conjugated polymer as a light harvester and charge transporter in the active…”
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Density Functional Theory Calculations of Optoelectronic Properties of Individual and Encapsulated Magnesium Porphyrin in Carbon Nanotubes for Organic Nanohybrid Solar Cells
Published in Energy technology (Weinheim, Germany) (01-05-2024)“…This research discusses incorporating a single magnesium porphyrin molecule into a semiconducting single‐walled carbon nanotube (SWCNT) for solar cell…”
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c-Kit Induces Migration of Triple-Negative Breast Cancer Cells and Is a Promising Target for Tyrosine Kinase Inhibitor Treatment
Published in International journal of molecular sciences (05-08-2022)“…Triple-negative breast cancer (TNBC) is associated with a poor prognosis and the absence of targeted therapy. c-Kit, a receptor tyrosine kinase (RTK), is…”
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Structural Relaxation and Crystalline Phase Effects on the Exchange Bias Phenomenon in FeF2/Fe Core/Shell Nanoparticles
Published in Advanced materials interfaces (01-09-2020)“…In this study, the power of first‐principles methods along with molecular dynamics and atomistic Monte Carlo simulations is employed to elucidate the effects…”
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Convoluted Magnetoresistance and Magnetic Reversal Processes in Ni–Fe Segmented Cylindrical Nanodots with Tunable Size and Composition for Technological Applications
Published in Advanced theory and simulations (01-08-2023)“…Due to their unique properties, bi‐segmented systems are currently used in several technological applications such as sensing devices, high density magnetic…”
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Tuning Magnetic Order in CrI3 Bilayers via Moiré Patterns
Published in Advanced theory and simulations (01-04-2022)“…Commensurable twisted bilayers can drastically change the magnetic properties of chromium trihalide layered compounds, which opens novel opportunities for…”
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Dynamical Stability and Physical Properties of Fe Dihalide Nanowires
Published in Advanced theory and simulations (01-08-2023)“…An extensive first‐principles and atomistic Monte Carlo study on isolated FeX2$\text{X}_2$ (X$\text{X}$ = F, Cl, Br, I) nanowires is presented. The structural…”
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Predicting the structure configuration and Raman analysis of caffeine molecules encapsulated into single-walled carbon nanotubes: Evidence for charge transfer
Published in Solar energy (15-01-2022)“…A new hybrid nano-system constituted of a single-walled carbon nanotube (SWNT) filled by caffeine (Caff) molecule(s) is proposed as a potential candidate for…”
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Short bandgap of porphyrin molecules (Py) filled in a semiconducting single-walled carbon nanotube (Py@NT17) for highly efficient organic photovoltaic cells
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01-07-2023)“…In this paper, the porphyrin (Py) molecule, which is filled in the semiconducting single-walled carbon nanotube (SWNT) known as CNT17, is investigated. We have…”
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Novel photobioreactor design for the culture of Dunaliella tertiolecta – Impact of color in the growth of microalgae
Published in Bioresource technology (01-10-2019)“…•Microalgae grow in different ways in front of different lighting colors.•Lighting colors encourage the production of high value pigments in microalgae.•The…”
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Encapsulation effect of π‐conjugated quaterthiophene on the radial breathing and tangential modes of semiconducting and metallic single‐walled carbon nanotubes
Published in Journal of computational chemistry (30-10-2020)“…We developed a hybrid approach, combining the density functional theory, molecular mechanics, bond polarizability model and the spectral moment's method to…”
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Force-constant model for the vibrational modes in black-phosphorene and phosphorene nanoribbons (PNRs)
Published in Physica. E, Low-dimensional systems & nanostructures (01-08-2021)“…We present in this paper, force constant model developed for Black phosphorene in order to reproduce the vibrationnal properties calculated from density…”
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Analytic treatment of the incomplete ferromagnetic domain-wall model for exchange bias
Published in Journal of magnetism and magnetic materials (01-03-2002)“…The incomplete ferromagnetic domain-wall model we proposed recently is solved analytically. We derive the dependence of the exchange bias field ( H EB) on the…”
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Positive exchange bias model: Fe/FeF2 and Fe/MnF2 bilayers
Published in Solid state communications (03-10-2000)Get full text
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Experimental and theoretical study of synthesis and properties of Cu2O/TiO2 heterojunction for photoelectrochemical purposes
Published in Surfaces and interfaces (01-04-2023)“…The Cu2O/TiO2 heterojunction is an attractive surface for its optoelectronic properties for developing catalysts, cells, and solar devices. However, the…”
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Ornstein-Zernike correlations and magnetic ordering in nanostructures
Published in The European physical journal. B, Condensed matter physics (01-03-2014)“…In this paper we propose a Heisenberg variational approach to study pseudo-critical phenomena on ferromagnetic nanostructures. We combine a two-spin cluster…”
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Understanding the elusive magnetic behavior of manganese clusters
Published in Physical review. B, Condensed matter and materials physics (01-10-2008)Get full text
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Physical and chemical properties of Con−mCum nanoclusters with n = 2–6 atoms via ab-initio calculations
Published in Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology (01-06-2012)“…We present ab-initio density-functional calculations of the structural, magnetic, and chemical properties of cobalt–copper clusters (1 nm in size) with two to…”
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Noncollinear magnetism, spin frustration, and magnetic nanodomains in small Mn n clusters
Published in Physical review. B, Condensed matter and materials physics (01-10-2006)Get full text
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