WoS İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/394
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Article Tuning Properties of Amorphous Boron Via Hydrogenation: An Ab Initio Study(Elsevier, 2026-01) Durandurdu, MuratAb initio simulations are employed to investigate the structural, mechanical, and electronic properties of hydrogenated amorphous boron (a-B:H) across a range of hydrogen concentrations (approximate to 6-21 at.%). The results indicate that pentagonal-like boron clusters constitute the primary structural motifs. The bonding environment consists of both B-H terminal bonds and B-H-B bridging bonds, with the fraction of bridging bonds ranging from 10 % to 16 %. Increasing the hydrogen content leads to a reduction in density and bulk modulus, accompanied by a systematic widening of the electronic band gap. These results demonstrate that hydrogen incorporation profoundly modifies the atomic structure, softens the network, and enhances the semiconducting character of a-B:H, highlighting the tunability of properties in boron-based amorphous materials.Article Citation - WoS: 2Citation - Scopus: 2Diffuse-Layer Surface Potentials of Colemanites Mined in Turkey(Oficyna Wydawnicza Politechniki Wrocławskiej, 2022-07-07) Arslan, Dilek Senol; Drelich, Jaroslaw W.; Senol-Arslan, DilekColemanite crystal specimens were handpicked at Kestelek, Emet (Hisarcik, Espey), Bigadic mines in Turkey for characterization of their composition and surface potential. X-ray diffraction analysis revealed no differences in mineralogical makeup of the crystals, but elemental analysis indicated differences in the type of trace (<0.1 wt%) elements. Zeta potential measurements showed small differences in zeta potential values, with isoelectric points (iep) varying from about pH = 9.6 to pH = 10.2. However, no correlation was found between iep and the type of trace elements. Additionally, atomic force microscopy (AFM) was employed to measure the colloidal interactions between a silicon nitride (Si3N4) cantilever tip and colemanite crystal surfaces in 1 wt% colemanite-saturated aqueous solutions at three different pHs (8.4, 9.4 and 11). The Derjaguin-Landau-Verwey-Overbeek theory (DLVO) was applied to examine the AFM tip interactions with colemanite surfaces in an aqueous solution of colemanite saturated solutions. The results revealed attractive forces at pH = 8.4 and 9.4 and repulsive forces at pH = 11, confirming the location of an isoelectric point for colemanite specimens somewhere between pH = 9.5 and pH = 10.1. Theoretical analysis of the force curves using the DLVO theory allowed for assessment of both surface charge density and surface potential for colemanite specimens used in this study.