Structural evolution and stabilities of (CuIn) n Te 2 and ((CuIn) n Te 2 ) − ( n = 1–8) clusters via DFT study

RSC Advances 2026 Open access

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Authors: Kidane Goitom Gerezgiher, Bereket Woldegbreal Taklu, Taame Abraha Berhe, Teklay Mezgebe Hagos, Hagos Woldeghebriel Zeweldi
DOI: 10.1039/d6ra00246c
Cited by: 1
References: 33

Abstract

cluster stands out with maximum HOMO-LUMO gap and dissociation energy, consistent with its enhanced stability. Adiabatic ionization potentials decrease with cluster size, indicating growing metallic character, while dissociation energies show odd-even oscillations but overall increase as size grows. Partial charge density analysis shows that both neutral and anion clusters are significant for semiconductor applications, including photovoltaic cells and related devices.

Fields of Study & Subjects

Copper-based nanomaterials and applications Chalcogenide Semiconductor Thin Films Quantum Dots Synthesis And Properties

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
7
Pages
6106–6118
Publication date
1 January 2026
Language
EN