Vitrification of and optical and photoelectrical properties of AgAsS2, AgSbS2, and AgBiS2

Golovach, I. I.; Gerasimenko, V. S.; Slivka, V. Yu.; Dovgoshei, N. I.; Golovei, M. I.; Bogdanova, A. V.

doi:10.1007/bf00945676

Cited by 9 publications

(6 citation statements)

References 4 publications

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“…The most linear spectra were observed for n =2, indicating that the present AgSbS 2 NCs exhibit direct band gaps. Figure 4 b further shows the estimated band gaps of 1.57, 1.47, 1.34, and 1.32 eV for the AgSbS 2 NCs with average diameters of 5.3, 10.0, 20.5, and 31.8 nm, respectively, agreeing reasonably well with the band gap of cubic AgSbS 2 bulk materials at 1.23–1.44 eV 25. 27 The optical property of the semiconductor NCs can be influenced by the surface properties and the quantum size effect.…”

Section: Resultssupporting

confidence: 67%

“…Surprisingly, the cubic AgSbS 2 (β‐miargyrite, Figure 2 b) is a high‐temperature polymorph, whereas the thermodynamically stable structure is the monoclinic AgSbS 2 (α‐miargyrite, Figure 2 a). The β‐miargyrite was usually formed by thermal‐induced transformation of α‐miargyrite crystals (the phase transformation from α‐miargyrite to β‐miargyrite occurs at 380 °C for bulk materials) 25. In contrast, our β‐miargyrite NCs were synthesized at significantly lower temperature (180 °C).…”

Section: Resultsmentioning

confidence: 97%

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Monodisperse AgSbS₂ Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry

Zhou

et al. 2015

Chemistry A European J

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We report an efficient approach to the synthesis of AgSbS2 nanocrystals (NCs) by colloidal chemistry. The size of the AgSbS2 NCs can be tuned from 5.3 to 58.3 nm with narrow size distributions by selection of appropriate precursors and fine control of the experimental conditions. Over 15 g of high-quality AgSbS2 NCs can be obtained from one single reaction, indicative of the up-scalability of the present synthesis. The resulting NCs display strong absorptions in the visible-to-NIR range and exceptional air stability. The photoelectrochemical measurements indicate that, although the pristine AgSbS2 NC electrodes generate a cathodic photocurrent with a relatively small photocurrent density and poor stability, both of them can be significantly improved subject to CdS surface modification, showing promise in solar energy conversion applications.

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Section: Resultssupporting

confidence: 67%

Section: Resultsmentioning

confidence: 97%

Monodisperse AgSbS₂ Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry

Zhou

et al. 2015

Chemistry A European J

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“…bonds is reflected in a series of bands on the infrared (IR) spectrum, as shown for example for smithite by Golovach et al [33]. The IR spectrum of glassy AsAgS 2 is essentially smeared, which has been explained by irregular packing of the AsS 3 structural units [33]. Our study confirms that, similar to smithite and trechmannite, AsS 3 pyramids exist in glassy AsAgS 2 .…”

Section: Rmc Modeling and Discussionsupporting

confidence: 85%

“…The uncertainty is comparable with the size of symbols. bonds is reflected in a series of bands on the infrared (IR) spectrum, as shown for example for smithite by Golovach et al [33]. The IR spectrum of glassy AsAgS 2 is essentially smeared, which has been explained by irregular packing of the AsS 3 structural units [33].…”

Section: Rmc Modeling and Discussionmentioning

confidence: 97%

Structural study of AsS2–Ag glasses over a wide concentration range

Kaban

Jóvári

Wágner

et al. 2011

Journal of Non-Crystalline Solids

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As 0.33 S 0.67 ) 100-x Ag x (0 ≤ x ≤ 28) bulk glasses showing micro-phase separation in a wide concentration range have been studied by X-ray diffraction, neutron diffraction and extended X-ray absorption fine structure measurements. The AsAgS 2 composition, which forms a homogeneous glass, is modeled with the reverse Monte-Carlo simulation technique. It is established that Ag prefers the environment of S; Ag-As bonding cannot be observed. Similarly to the AsAgS 2 crystalline modifications smithite and trechmannite, the main structural units of the glass are AsS 3 pyramids. The covalent network of As and S atoms becomes fragmented in the glassy AsAgS 2 unlike in the glassy AsS 2 . The environment of Ag atoms in the AsAgS 2 glass differs from that in the crystalline state. In average, each Ag atom has four nearest neighbors, three of them being S and one being Ag.

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“…Considering the time cost and accuracy requirements of the calculations, we adopt the GGA-PBE method to optimize the geometry of β-AgBiS 2 crystal. The calculated lattice constants, along with other reported theoretical and experimental data [8,[17][18][19][20][21] are all listed in Table 1 for comparison. The calculated lattice constants a and c are 4.019 and 18.968 Å, respectively, with 1.15%-1.25% and 0.…”

Section: Structural Optimizationmentioning

confidence: 99%

First-principles calculation of electronic structure, chemical bonding and optical properties of β-AgBiS2

Zhang,

Guo,

Zhang

et al. 2023

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We investigated the structural, electronic, chemical bonding, and optical properties of β-AgBiS2 crystal by using the Perdew-Burke-Ernzerhof (PBE) functional and the hybrid functional Heyd Scuseria Ernzerhof (HSE) within the DFT formalism. The electronic band structures obtained by both methods indicate that β-AgBiS2 is an indirect band gap semiconductor with band gap of 0.571 and 1.025 eV, respectively. The electron density difference and Mulliken overlap population show that the Ag-S bonds and Bi-S bonds are both ionic bonds. The calculated optical absorption spectrum prove that β-AgBiS2 is a promising material for solar photovoltaic conversion

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Vitrification of and optical and photoelectrical properties of AgAsS2, AgSbS2, and AgBiS2

Cited by 9 publications

References 4 publications

Monodisperse AgSbS₂ Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry

Monodisperse AgSbS₂ Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry

Structural study of AsS2–Ag glasses over a wide concentration range

First-principles calculation of electronic structure, chemical bonding and optical properties of β-AgBiS2

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Vitrification of and optical and photoelectrical properties of AgAsS2, AgSbS2, and AgBiS2

Cited by 9 publications

References 4 publications

Monodisperse AgSbS2 Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry

Monodisperse AgSbS2 Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry

Structural study of AsS2–Ag glasses over a wide concentration range

First-principles calculation of electronic structure, chemical bonding and optical properties of β-AgBiS2

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Product

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Monodisperse AgSbS₂ Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry

Monodisperse AgSbS₂ Nanocrystals: Size‐Control Strategy, Large‐Scale Synthesis, and Photoelectrochemistry