Stoichiometric single crystal growth of AgGaS<sub>2</sub> by iodine transport method and characterization

Prabukanthan, P.; Dhanasekaran, R.

doi:10.1002/crat.200800055

Cited by 19 publications

(4 citation statements)

References 22 publications

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“…In Table I, we list all the fitted Morse potential parameters for the pristine CuInTe 2 , which can almost reproduce the total energies obtained from first-principles calculations, as indicated in Figure 1 with respect to the variation of lattice constant. It should be mentioned that the equilibrium lattice constants we found (a = b = 6.28 Å and c= 12.59 Å) are very close to the experimental values (a = b = 6.20 Å and c = 12.44 Å) [21]. Using these fitted Morse potential parameters, we have calculated the elastic constants (C ij ) of CuInTe 2 compound.…”

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confidence: 81%

Molecular dynamics simulations of the lattice thermal conductivity of thermoelectric material CuInTe2

et al. 2017

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The lattice thermal conductivity of thermoelectric material CuInTe 2 is predicted using classical molecular dynamics simulations, where a simple but effective Morse-type interatomic potential is constructed by fitting first-principles total energy calculations. In a broad temperature range from 300 to 900 K, our simulated results agree well with those measured experimentally, as well as those obtained from phonon Boltzmann transport equation. By introducing the Cd impurity and Cu vacancy, the thermal conductivity of CuInTe 2 can be effectively reduced to further enhance the thermoelectric performance of this chalcopyrite compound.Ternary I-III-VI chalcopyrite compounds (I=Cu, Ag, III= Al, Ga, In and VI=S, Se, Te) have been identified as good thermoelectric materials [1, 2, 3, 4] due to their lower thermal conductivity. Among them, the thermoelectric performance of CuInTe 2 compound [5, 6] has been widely reported. For the p-type CuInTe 2 , the efficiency of thermoelectric conversion, which is characterized by the so-called ZT, can reach 1.18 at 850 K [7]. The relatively larger ZT value of CuInTe 2 is due to the larger Seebeck coefficient ( S ) and moderate electrical conductivity (σ ). In order to further improve the thermoelectric performance of CuInTe 2 , many efforts have been devoted to optimize the power factor ( 2 S σ ). Alternatively, one can take some strategies to suppress the lattice thermal conductivity ( l κ ). It is worth noting that the thermal conductivity of CuInTe 2 at room temperature is relatively larger than those of

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supporting

confidence: 81%

Molecular dynamics simulations of the lattice thermal conductivity of thermoelectric material CuInTe2

et al. 2017

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“…raw) pellets. The excess sulfur was employed with the intent of preventing any deviation from stoichiometry in the early stages of the treatment (evacuation and elemental reaction), similarly to Prabukanthan et al [34]. The pellets were then sealed within evacuated quartz ampoules and put in the tubular furnace which was gradually heated up to 700°C and left for about 48 hours, similarly to Bernardini et al [13] and Schorr et al [35].…”

Section: Pre-treatment and Crystal Growthmentioning

confidence: 99%

Crystal growth of Cu2ZnSnS4 solar cell absorber by chemical vapor transport with I2

Colombara

Delsante

Borzone

et al. 2013

Journal of Crystal Growth

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Single crystals of Cu 2 ZnSnS 4 have been produced within sealed quartz ampoules via the chemical vapour transport technique using I 2 as the transporting agent. The effects of temperature gradient and I 2 load on the crystal habit and composition are considered. Crystals have been analysed with XRD, SEM, and TEM for compositional and structural uniformities at both microscopic and nanoscopic levels. The synthesized crystals have suitable (I 2 -load dependent) properties and are useful for further solar absorber structural and physical characterizations. A new chemical vapour transport method based on longitudinally isothermal treatments is attempted. Based on a proposed simplistic mechanism of crystal growth, conditions for crystal enlargement with the new method are envisaged.

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“…The NNDPB and FNNDPB crystals show 100% transmission in the visible region which indicates the good optical quality of the grown crystal. Figure shows the transmittance versus wavelength of the grown crystals of NNDPB and FNNDPB and the band gaps are 3.16 and 3.12 eV, respectively . The large transmittance in the visible region makes it a potential candidate for optoelectronic applications.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, Crystal Growth, and Optical Characterization of a Novel Nonlinear Optical Organic Material: N,N‐Diarylbenzamide

Lakshmi¹,

Prabukanthan²,

Harichandran

et al. 2018

Crystal Research and Technology

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Nonlinear optical organic materials of N,N-diphenylbenzamide (NNDPB) and 4-fluoro-N,N-diphenylbenzamide (FNNDPB) are synthesized from benzoylation of N,N-diphenylamine using the substituted benzoyl chlorides. The single crystals of NNDPB and FNNDPB are grown by a slow evaporation technique. Single-crystal X-ray diffraction shows that both the crystals belong to orthorhombic crystallographic system with space group Pbca. Fourier transform infrared spectrum shows the chemical bonding and various functional groups, the carbonyl peak appeared at 1647 and 1651 cm −1 in NNDPB and FNNDPB compounds, respectively. 1 H and 13 C nuclear magnetic resonance analysis examines the placement of aromatic protons and carbons are identified to the synthesized materials. UV-vis near IR spectra analysis showed 100% transmission in the visible region for both NNDPB and FNNDPB crystals. As-grown crystal dielectric constant and dielectric loss are inversely proportional to the frequency at all the temperatures. The thermal properties of NNDPB and FNNDPB crystals are studied from thermogravimetric analysis/differential thermal analysis analysis, it is thermally stable up to 483 and 503 K. Crystal growth mechanism and defects are observed from etching studies. The relative second harmonic generation efficiency is measured by Kurtz-Perry powder technique and is found to be 1.55 and 1.7 times as that of potassium dihydrogen phosphate.

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Stoichiometric single crystal growth of AgGaS₂ by iodine transport method and characterization

Cited by 19 publications

References 22 publications

Molecular dynamics simulations of the lattice thermal conductivity of thermoelectric material CuInTe2

Molecular dynamics simulations of the lattice thermal conductivity of thermoelectric material CuInTe2

Crystal growth of Cu2ZnSnS4 solar cell absorber by chemical vapor transport with I2

Synthesis, Crystal Growth, and Optical Characterization of a Novel Nonlinear Optical Organic Material: N,N‐Diarylbenzamide

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Stoichiometric single crystal growth of AgGaS2 by iodine transport method and characterization

Cited by 19 publications

References 22 publications

Molecular dynamics simulations of the lattice thermal conductivity of thermoelectric material CuInTe2

Molecular dynamics simulations of the lattice thermal conductivity of thermoelectric material CuInTe2

Crystal growth of Cu2ZnSnS4 solar cell absorber by chemical vapor transport with I2

Synthesis, Crystal Growth, and Optical Characterization of a Novel Nonlinear Optical Organic Material: N,N‐Diarylbenzamide

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Stoichiometric single crystal growth of AgGaS₂ by iodine transport method and characterization