Search Results - "Sosa, Akari Narayama"
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NH3 capture and detection by metal-decorated germanene: a DFT study
Published in Journal of materials science (01-05-2022)“…We report an investigation of the adsorption of ammonia (NH 3 ) on pristine, alkali (Li, Na, K), alkaline earth (Mg, Ca), and transition metal (Sc, Pd, and Ag)…”
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Effects of substitutional doping and vacancy formation on the structural and electronic properties of siligene: A DFT study
Published in Materials letters (15-01-2022)“…[Display omitted] •Vacancies and doping strongly affect the electronic properties of siligene.•Si and Ge vacancies enlarge SiGe bangap, being greater the…”
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New Cap-Holed AlP, GaP, and InP Nanotubes
Published in ACS omega (16-01-2024)“…The structural, vibrational, and electronic properties of new inorganic X-phosphide nanotubes (ch-XPNT), with X = Al, Ga, or In and chirality of (5,5), are…”
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Alkali and transition metal atom-functionalized germanene for hydrogen storage: A DFT investigation
Published in International journal of hydrogen energy (03-06-2021)“…In this work, we have performed density functional theory-based calculations to study the adsorption of H2 molecules on germanene decorated with alkali atoms…”
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Enhanced reversible hydrogen storage performance of light metal-decorated boron-doped siligene: A DFT study
Published in International journal of hydrogen energy (15-12-2022)“…The use of nanomaterials for hydrogen storage could play a very important role in the large-scale utilization of hydrogen as an energy source. However,…”
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Light metal functionalized two-dimensional siligene for high capacity hydrogen storage: DFT study
Published in International journal of hydrogen energy (18-08-2021)“…In this work, the hydrogen storage capacities of two-dimensional siligene (2D-SiGe) functionalized with alkali metal (AM) and alkali-earth metal (AEM) atoms…”
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CO and CO2 adsorption performance of transition metal-functionalized germanene
Published in Materials letters (01-10-2021)“…[Display omitted] •CO and CO2 adsorption on Cu-, Ag-, and Au-functionalized germanene were studied.•Cu, Ag, and Au atoms improve the interaction between…”
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NH.sub.3 capture and detection by metal-decorated germanene: a DFT study
Published in Journal of materials science (01-05-2022)“…We report an investigation of the adsorption of ammonia (NH.sub.3) on pristine, alkali (Li, Na, K), alkaline earth (Mg, Ca), and transition metal (Sc, Pd, and…”
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Hydrogen storage on metal decorated pristine siligene and metal decorated boron-doped siligene
Published in Materials letters (15-06-2021)“…[Display omitted] •H2 storage on metal-decorated undoped and B-doped siligene was studied.•B doping on Li-decorated siligene improve the H2 storage capacity.•B…”
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10
Effects of lithium on the electronic properties of porous Ge as anode material for batteries
Published in Journal of computational chemistry (05-12-2020)“…Recently, the need of improvement of energy storage has led to the development of Lithium batteries with porous materials as electrodes. Porous Germanium (pGe)…”
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A DFT investigation: High-capacity hydrogen storage in metal-decorated doped germanene
Published in Journal of energy storage (10-12-2023)“…Germanene is a two-dimensional nanomaterial that has been successfully synthesized and has promising applications in sensing and energy storage. Recent…”
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Highly sensitive amphetamine drug detection based on silicon nanowires: Theoretical investigation
Published in Surfaces and interfaces (01-02-2023)“…Amphetamine (AA) is used in some therapeutic treatments, but it is also one of the most widely used illicit drugs. Therefore, a correct tracking of AA in…”
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