Competitive Intracellular Hydrogen-Nanocarrier Among Aluminum, Carbon, or Silicon Implantation: a Novel Technology of Eco-Friendly Energy Storage using Research Density Functional Theory
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Russian Journal of Physical Chemistry B | ||
| Dergi ISSN | 1990-7931 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 06-2024 |
| Cilt / Sayı / Sayfa | 18 / 3 / 805–820 | DOI | 10.1134/S1990793124700131 |
| Makale Linki | https://link.springer.com/article/10.1134/S1990793124700131 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| This work proposes that metallic, nonmetallic, metalloid as a semiconductor can be examined through doping on the pristine boron nitride nanocell (B5N10_NC) for ameliorating the adsorption potential of the nanosurface towards designing the energy storage device. Hydrogen adsorption by using X (X=Al, C, Si)-doped B5N10_NC have been investigated using density functional theory. The partial density of states can evaluate a determined charge assembly between hydrogen molecules and X–B4N10_NC which indicates the competition among dominant complexes of metallic (Al), nonmetallic (C), metalloid/semiconductor (Si). Based on nuclear quadrupole resonance analysis, carbon-doped on B5N10_NC has shown the lowest fluctuation in electric potential and the highest negative atomic charge on doping atoms including C, Si, and Al including 0.1167, 1.0620, and 1.1541 coulomb in H2@C–B4N10_NC, H2 … |
| Anahtar Kelimeler |
| atom doping | BN-nanocell | energy storage | hydrogen adsorption | materials modelling |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 48 |
| Scopus | 68 |
| Google Scholar | 78 |