2015
DOI: 10.1002/cphc.201500264
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Band‐Gap Control of Zinc Sulfide: Towards an Efficient Visible‐Light‐Sensitive Photocatalyst

Abstract: The electronic properties of transition-metal-doped zinc sulfide (ZnS) have been investigated by using first-principles calculations. Transition-metal doping can allow electronic transitions at energies corresponding to visible-light wavelengths, thus potentially resulting in increased photocatalytic efficiency under sunlight. In particular, our calculations show that transition-metal atoms that produce little lattice strain, such as Co, Ni, Mn, and Fe, can be readily incorporated in ZnS. Due to their low form… Show more

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Cited by 40 publications
(18 citation statements)
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References 29 publications
(41 reference statements)
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“…Second, while in the range of [Zn­(Tb)­S]/[Cd 2+ ] = 1:10 –4 to 1:10 –2 , the formation of ZnS/CdS core/shell structure can be argued, we anticipate that such a structure formation would result in lengthening of Tb 3+ emission intensity due to a decrease in nonradiative deactivation pathways, which was not observed experimentally. Third, the origin of an additional lower energy excitation band at 305 nm in the photoluminescence excitation spectra of the nanoparticles with a very low Cd 2+ concentration with [Zn­(Tb)­S]/[Cd 2+ ] = 1:10 –4 to 1:10 –3 agree well with the prediction by Hart and Kurnia on cadmium-introduced ZnS.…”
Section: Resultssupporting
confidence: 81%
“…Second, while in the range of [Zn­(Tb)­S]/[Cd 2+ ] = 1:10 –4 to 1:10 –2 , the formation of ZnS/CdS core/shell structure can be argued, we anticipate that such a structure formation would result in lengthening of Tb 3+ emission intensity due to a decrease in nonradiative deactivation pathways, which was not observed experimentally. Third, the origin of an additional lower energy excitation band at 305 nm in the photoluminescence excitation spectra of the nanoparticles with a very low Cd 2+ concentration with [Zn­(Tb)­S]/[Cd 2+ ] = 1:10 –4 to 1:10 –3 agree well with the prediction by Hart and Kurnia on cadmium-introduced ZnS.…”
Section: Resultssupporting
confidence: 81%
“…E g was found to be 3.40(5) eV, corresponding to a wavelength of 365 nm. The obtained E g is similar to that found for bulk ZnS by Kurnia et al (around 3.6 eV) . It has to be noted that the actual sizes of the present NPs (around 5–6 nm, see Table ) is much higher than the exciton Bohr radius for ZnS (2.5 nm) and therefore the quantum confinement effect is negligible in line with the found energy bandgap value.…”
Section: Resultssupporting
confidence: 90%
“…The obtained E g is similar to that found for bulk ZnS by Kurnia et al (around 3.6 eV). 54 It has to be noted that the actual sizes of the present NPs (around 5−6 nm, see Table 1) is much higher than the exciton Bohr radius for ZnS (2.5 nm) 11 and therefore the quantum confinement effect is negligible in line with the found energy bandgap value. On the other hand, the emission of the undoped sample upon UV excitation in the bandgap region (excitation around 365 nm) is barely detectable as it can be noted from the picture shown in the Supporting Information (Figure S28) where a comparison among the ZnS NPs samples is shown upon excitation with a Wood's lamp.…”
Section: ■ Results and Discussionsupporting
confidence: 63%
“…With lower optical band gap, ternary zinc cobalt sulfides have been widely used as luminescent materials, active photocatalysts, and diluted magnetic semiconductors . Recently, the extended applications of ternary zinc cobalt sulfides in electrochemical energy storage and conversion have also been documented …”
Section: Mmss For Electrochemical Energy Storage and Conversion Applimentioning
confidence: 99%