Microstructure, optical and electrical characterizations of Mn doped ZnS nanocrystals synthesized by mechanical alloying

Dhara, Arup; Sain, Sumanta; Das, Sachindranath; Pradhan, S.K.

doi:10.1016/j.materresbull.2017.08.060

Cited by 30 publications

(15 citation statements)

References 52 publications

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“…Finally, if the results of the present work are compared with those of other works dealing with milling processes, important differences were also found. For example, in [35,36], the PL measurements performed in Mn-doped ZnS samples obtained by milling Zn, Mn and S did not evidence the characteristic emission at ~ 580 nm, which infers that the samples were not properly doped. In [37], any luminescence measurement was shown and in [38], the comminution of commercial microsized ZnS:Mn 2+ samples induced only a slight improvement in PL spectra.…”

Section: Resultsmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

“…Few reports can be found in the bibliography dealing with the synthesis of Mndoped ZnS by ball milling methods [35][36][37][38]. In [35] and [36] Mn-doped ZnS samples were obtained by milling Zn, S and Mn powders. The authors did not observe a combustion process and obtained a zinc blende major phase after several hours of milling.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis of Mn2+-doped ZnS by a mechanically induced self-sustaining reaction

et al. 2019

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The mechanochemical process denoted as mechanically-induced self-sustaining reaction was successfully applied in obtaining Mn-doped ZnS samples with a Mn content between 0 and 5 mol%. The process consists in milling Zn/Mn/S powder elemental mixtures with the appropriate stoichiometry, which promotes after approximately 80 min the induction of a combustion reaction. The doping level was properly adjusted by controlling the atomic ratio of the starting mixture. A complete characterization of samples was carried out, including X-ray diffraction, high-resolution transmission electron microscopy, selected area electron diffraction, energy dispersive X-ray spectroscopy, Raman spectroscopy, diffuse reflectance UV-Vis spectroscopy and emission and excitation photoluminescence measurements. A wurtzite structure, in which Mn 2+ replace Zn 2+ , was obtained with a nanometric character. The photoluminescence of samples showed the characteristic Mn 2+ 4 T1-6 A1 emission that was highly dependent on the doping level. The maximum luminescence efficiency through the ZnS excitation was found for a doping value of 1 mol%. The photoluminescence showed virtually no contribution from the host emission, which confirmed that samples were properly doped.

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Section: Resultsmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

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Synthesis of Mn2+-doped ZnS by a mechanically induced self-sustaining reaction

et al. 2019

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“…Mechanochemical synthesis procedures are generally performed in high-energy ball-milling equipment, in which solid state reactions are induced by applying mechanical energy to a reactant mixture 32 . It has been reported that ZnS and ZnSe can be obtained by milling their respective Zn-S and Zn-Se elemental mixtures [33][34][35][36][37][38][39][40][41][42][43][44][45] , although other mechanochemical processes based on displacement reactions have also been informed [46][47][48] . The reactions of formation of ZnS and ZnSe are highly exothermic 49 and fulfil the empirical Merzhanov's criterion for combustion processes (adiabatic temperature (Tad) > 1800 K).…”

Section: Introductionmentioning

confidence: 99%

Tailoring the Band Gap in the ZnS/ZnSe System: Solid Solutions by a Mechanically Induced Self-Sustaining Reaction

et al. 2019

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The complete ZnSxSe1-x solid solution was successfully obtained by the mechanochemical process denoted as mechanically-induced self-sustaining reaction (MSR). An excellent control of the chemical stoichiometry of the solid solution was possible by adjusting the atomic ratio of the starting Zn/S/Se elemental mixture subjected to milling. A mixture of both wurtzite-2H (hexagonal) and zinc blende (cubic) structures was always obtained, although for a similar milling time the proportion of the zinc blende structure increased with the Se content in the solid solution. However, wurtzite was the major phase for S-rich compositions when milling was stopped just after ignition. It was demonstrated that milling induces the wurtzite-to-zinc blende phase transition. The 8H hexagonal polytype was also observed in samples subjected to long milling times. The variation of the lattice parameters for both structures with the x value in the solid solution presented an excellent linearity, confirming the validity of the Vegard's law. However, the variation of the band gap energy (Eg) with x was not perfectly linear and a small bowing parameter of 0.34 was obtained. It was possible to tune the Eg value between those of the end members of the solid solution in a continuous manner by adjusting the stoichiometry of the solid solution. The morphology and the crystalline domain size can be also controlled by adjusting, in this case, the post-ignition milling time of the mechanochemical process.

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“… 4 , 5 Likewise, the use of II–VI semiconductor nanomaterials in biological investigations has increased notably due to their unique optical properties and to recent advances in biofunctionalization. 6 The addition of transition metals, TMs, can change the structural and electronic properties of these materials 7 − 10 and even give them magnetic properties. 11 , 12 The resulting magnetic and optoelectronic properties are assorted and dependent on the particular transition metal atom.…”

Section: Introductionmentioning

confidence: 99%

Role of Dispersion Interactions in Endohedral TM@(ZnS)₁₂ Structures

et al. 2021

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II–VI semiconducting materials are gaining attention due to their optoelectronic properties. Moreover, the addition of transition metals, TMs, might give them magnetic properties. The location and distance of the TM are crucial in determining such magnetic properties. In this work, we focus on small hollow (ZnS) 12 nanoclusters doped with TMs. Because (ZnS) 12 is a cage-like spheroid, the cavity inside the structure allows for the design of endohedral compounds resembling those of C 60 . Previous studies theoretically predicted that the first-row TM(ZnS) 12 endohedral compounds were thermodynamically unstable compared to the surface compounds, where the TM atom is located at the surface of the cluster. The transition states connecting both structure families were calculated, and the estimated lifetimes of these compounds were predicted to be markedly small. However, in such works dispersion effects were not taken into account. Here, in order to check for the influence of dispersion on the possible stabilization of the desired TM(ZnS) 12 endohedrally doped clusters, several functionals are tested and compare to MP2. It is found that the dispersion effects play a very important role in determining the location of the metals, especially in those TMs with the 4s3d shell half-filled or completely filled. In addition, a complete family of TM doped (ZnS) 12 nanoclusters is explored using ab initio molecular dynamics simulations and local minima optimizations that could guide the experimental synthesis of such compounds. From the magnetic point of view, the Cr( 7 S) @ (ZnS) 12 compound is the most interesting case, since the endohedral isomer is predicted to be the global minimum. Moreover, molecular dynamics simulations show that when the Cr atom is located at the surface of the cluster, it spontaneously migrates toward the center of the cavity at room temperature.

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Microstructure, optical and electrical characterizations of Mn doped ZnS nanocrystals synthesized by mechanical alloying

Cited by 30 publications

References 52 publications

Synthesis of Mn2+-doped ZnS by a mechanically induced self-sustaining reaction

Synthesis of Mn2+-doped ZnS by a mechanically induced self-sustaining reaction

Tailoring the Band Gap in the ZnS/ZnSe System: Solid Solutions by a Mechanically Induced Self-Sustaining Reaction

Role of Dispersion Interactions in Endohedral TM@(ZnS)₁₂ Structures

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Microstructure, optical and electrical characterizations of Mn doped ZnS nanocrystals synthesized by mechanical alloying

Cited by 30 publications

References 52 publications

Synthesis of Mn2+-doped ZnS by a mechanically induced self-sustaining reaction

Synthesis of Mn2+-doped ZnS by a mechanically induced self-sustaining reaction

Tailoring the Band Gap in the ZnS/ZnSe System: Solid Solutions by a Mechanically Induced Self-Sustaining Reaction

Role of Dispersion Interactions in Endohedral TM@(ZnS)12 Structures

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Role of Dispersion Interactions in Endohedral TM@(ZnS)₁₂ Structures