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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

Stating the Progress of Mn-Based Nanohybrid Materials Containing GaN/AlGaN/InGaN Towards Remarkable Improvement in Hydrogen Storage  
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Türkiye
Devamını Göster
Özet
A comprehensive investigation on hydrogen grabbing by heteroclusters of Mn-doped GaN, AlGaN, InGaN is carried out using DFT computations at the CAM--B3LYP--D3/6--311+G(d,p) level of theory. The notable fragile signal intensity close to the parallel edge of the nanocluster sample might be owing to manganese binding-induced non-spherical distribution of Mn@GaN, Mn@AlGaN or Mn@InGaN heteroclusters. The hypothesis of the energy-adsorption phenomenon is confirmed by density distributions of CDD, TDOS/PDOS/OPDOS, and electron-localization function (ELF) for GaN and its alloys. Based on TDOS, the excessive growth technique on doping manganese is a potential approach to designing high-efficiency hybrid semi-polar gallium nitride-based devices in a long-wavelength zone. A vaster jointed area engages by an isosurface map for Mn-doping GaN, AlGaN, and InGaN towards formation of nanocomposites of Mn@GaN--H, Mn@AlGaN--H, and Mn@InGaN--H after hydrogen adsorption due to labelling atoms of N4, Mn5, H18, respectively. Therefore, it can be considered that manganese in the functionalized Mn@GaN, Mn@AlGaN or Mn@InGaN might have more impressive sensitivity for accepting the electrons in the process of hydrogen adsorption. Furthermore, Mn@GaN, Mn@AlGaN or Mn@InGaN are potentially advantageous for certain high-frequency applications requiring solar cells for energy storage. The advantages of manganese over GaN, AlGaN, or InGaN include its higher electron and hole mobility, allowing manganese-doping devices to operate at higher frequencies than non-doping devices.
Anahtar Kelimeler
aluminium--gallium nitride | energy storage | first-principles study | hydrogen adsorption | indium gallium nitride | solar cells
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı Nanosistemi Nanomateriali Nanotehnologii
Dergi ISSN 1816-5230 Scopus Dergi
Dergi Tarandığı Indeksler SCOPUS
Makale Dili İngilizce
Basım Tarihi 01-2025
Cilt No 23
Sayı 1
Sayfalar 37 / 60
Doi Numarası 10.15407/nnn.23.01.0037
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Stating the Progress of Mn-Based Nanohybrid Materials Containing GaN/AlGaN/InGaN Towards Remarkable Improvement in Hydrogen Storage

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