Effect of Ni-doping on the electronic bandgap and thermal conductivity of calcium hydroxide: Experimental and theoretical investigation

IF 4.4 2区物理与天体物理 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Results in Physics Pub Date : 2025-03-01 DOI:10.1016/j.rinp.2025.108177

Basit Ali, Aamir Khan, Faheem Amin

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Abstract

In the current research work, pure and nickel-doped calcium hydroxide (Ni-doped Ca(OH)₂) were studied both experimentally and theoretically. Theoretically, the material is examined by using the full-potential linearized augmented plane wave (FP-LAPW) scheme as implemented in the WIEN2K Simulation package. Experimentally, the pure and Ni-doped Ca(OH)₂ were prepared via a simple inexpensive chemical method. The structural, thermal, electronic, and optical behavior of doped and pure Ca(OH)₂ were analyzed. The addition of nickel increased the experimental thermal conductivity from 0.0942 to 0.2063 W/mK. The experimental band gap energy was determined to reduce from 5.21 eV to 4.04 eV for pure and Ni-doped Ca(OH)₂ respectively. The Ni-doped Ca(OH)₂ sample shows an increasing trend of optical properties in the visible region by incorporating Ni⁺² ions. This research work shows that Ni-doped Ca(OH)₂ is a favorable competitor for enhanced thermoelectric and optoelectronic applications.

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来源期刊

Results in Physics MATERIALS SCIENCE, MULTIDISCIPLINARYPHYSIC-PHYSICS, MULTIDISCIPLINARY

CiteScore

8.70

自引率

9.40%

发文量

754

审稿时长

50 days

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