Bor Katkılı ZnO Nanopartiküllerin Sentezi ve Yapısal, Morfolojik, Optik Özelliklerinin Deneysel/Kuramsal İncelenmesi

Öz

Bu çalışmada, sprey piroliz yöntemi ile farklı molar oranlarda (%0, 0.2, 0.5, 1, ve 2) bor katkılı ZnO nanoparçacıkları elde edilmiştir. Katkısız ve katkılı ZnO nanoparçacıklarının karakterizasyonu, X-ışını kırınımı (XRD) tekniği, yüzey morfolojisi Taramalı Elektron Mikroskobu (SEM) ve optik özellikler ultraviyole-görünür bölge spektrumu ölçülerek yapılmıştır. XRD analiz sonuçları, wurtzite kristal yapıda ZnO nanoparçacıklarının elde edildiğini göstermektedir. Bant aralığı enerjisi (Eg) her bir numune için 2.98 –3.15 eV aralığında bulunmuş ve katkı maddelerinin bant enerjisini artırdığı gözlemlenmiştir. Ayrıca 10 metal ve oksijen atomundan oluşan küme yapıları yarı deneysel/pm6 yöntemi ile optimize edilmiş, kuramsal band boşluğu enerjisi hesaplanmıştır.

Anahtar Kelimeler

• Bor Doplu ZnO Nanoparçacık
• XRD
• Bant Aralığı
• DFT

Synthesis of Boron Doped ZnO Nanoparticles and Experimental/Theoretical Investigation of Structural, Morphological, Optical Properties

Öz

In this study, boron doped ZnO nanoparticles in different molar ratios (% 0, 0.2, 0.5, 1, and 2) were obtained by spray pyrolysis method. Characterization of pure and doped ZnO nanoparticles was performed by X-ray diffraction (XRD) technique, Scanning Electron Microscopy (SEM) and UV-vis region spectrum. XRD analysis results show that ZnO nanoparticles in wurtzite crystal structure were obtained. The band gap energy (Eg) was found in the range of 2.98 - 3.14 eV for each sample, and it was observed that the additives increased the band energy. In addition, cluster structures consisting of 10 metal and oxygen atoms were optimized by the quasi-experimental/pm6 method, and the theoretical band gap energy was calculated.

Anahtar Kelimeler

• Boron Doped ZnO Nanoparticle
• XRD
• Band Gap
• DFT

Kaynakça

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