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_ ev » _ pv (Expand Search), _ e (Expand Search), _ el (Expand Search)
decrease » decreased (Expand Search), increase (Expand Search)
_ ev » _ pv (Expand Search), _ e (Expand Search), _ el (Expand Search)
decrease » decreased (Expand Search), increase (Expand Search)
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1
Crystallization properties of arsenic doped GST alloys
Published 2019“…The crystallization temperature (T<sub>c</sub>) of (GST)<sub>0.85</sub>As<sub>0.15</sub> is higher than the T<sub>c</sub> observed in GST. Optical band gap (E<sub>opt</sub>) values of the as-deposited films show a clear increasing trend; 0.6 eV for GST to 0.76 eV for (GST)<sub>0.85</sub>As<sub>0.15</sub>. …”
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Enhanced optical properties of <i>β</i>-Ga<sub>2</sub>O<sub>3</sub>-<sub><em>x</em></sub>S<sub><em>x</em></sub>S: A DFT study
Published 2025“…Here, we conduct systematic density functional theory calculations to study the effect of sulfur doping on the electronic and optical properties of <i>β</i>-Ga<sub>2</sub>O<sub>3</sub>. We find that the band gap of the material decreases with increasing sulfur content (from 4.81 eV to 1.59 eV), accompanied by symmetric shifts in both the valence-band offset and the conduction-band edge. …”
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3
Influence of natural gas composition on adsorption in calcite Nanopores: A DFT study
Published 2021“…The nanopores absorbed up to 28 and 24 molecules of CH<sub>4</sub> and CO<sub>2,</sub> respectively, and the adsorption energy decreased to −0.0062 and −0.0075 eV/Å<sup>2</sup> for each. …”
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4
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Co-doped zigzag graphene nanoribbon based gas sensor for sensitive detection of H<sub>2</sub>S: DFT study
Published 2021“…The adsorption energy (E<sub>ads</sub>) of H<sub>2</sub>S/Zn-ZGNR and H<sub>2</sub>S/Cu-ZGNR systems were found to be −2.237 and −1.129 eV, respectively. …”
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Rapid mercury removal using living indigenous microalgal communities for water treatment applications
Published 2025“…Comprehensive isotherm analysis revealed the Dubinin-Radushkevich model provided the best fit (R<sup>2</sup> = 0.998), indicating physical adsorption as the predominant mechanism, as the calculated mean free energy (E = 5.00 kJ/mol) falls within the 1–8 kJ/mol range characteristic of physical adsorption. …”
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7
Visible Light Photocatalytic Activity of Ag/WO<sub>3</sub> Nanoparticles and its Antibacterial Activity Under Ambient Light and in The Dark
Published 2022“…Ultraviolet–visible spectra analysis observed a large redshift in the absorbing band edge and decreased bandgap energy from 2.6 to 2.1 eV. …”