Inverse Design of High Absorption Thin‐Film Photovoltaic Materials

Yu, Liping; Kokenyesi, Robert S.; Keszler, Douglas A.; Zunger, Alex

doi:10.1002/aenm.201200538

Cited by 344 publications

(317 citation statements)

References 25 publications

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“…Such high absorption coefficients make famatinite an attractive candidate for use as light absorber in solar photovoltaic devices. In Figure 4 our results are compared with other experimental 2,4 and theoretical 4 results in the literature.…”

Section: Absorption Coefficientsmentioning

confidence: 92%

“…Other CuVS2 compounds and tetrahedrites would be included in the low-valence group. One of the main differences between the high-valence and low-valence Cu-V-VI compounds is that the orbital contribution of group V atoms in the high-valence compounds is larger in CB states than that in VB states for the s(V) orbitals 4,28 , while in low-valence compounds it is larger for the p(V) orbitals 4,26 .…”

Section: Projected Electronic Propertiesmentioning

confidence: 99%

“…Therefore, famatinite-Cu3SbS4 is relatively simple to synthesize. The experimental energy band gap of famatinite-Cu3SbS4 is between 0.46 eV 3 and 1.0 eV 2 , and the absorption coefficient is high, greater than 10 4 cm −1 over the visible region 2,4 . These properties indicate that this compound could be suitable as a solar radiation absorber in solar cells.…”

Section: Introductionmentioning

confidence: 98%

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Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu₃SbS₄

Crespo

2016

J. Phys. Chem. C

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Cu-Sb-S semiconductors are a large group of materials promising for a variety of applications, especially as thin-film solar cell absorbers. We present first-principles calculations of the optical and electronic properties of Cu3SbS4 in the famatinite structure. The effect of the microscopic properties on macroscopic optical and photovoltaic parameters is analyzed. By splitting the optical properties, we identified microscopically the origin of the high absorption coefficients. It is because an elevated contribution from S-S and Sb-Sb transitions. In addition, we estimate the macroscopic potential of these compounds for photovoltaic applications obtaining solar cell efficiencies using different spectra. The results indicate the great potential of these materials for photovoltaics.

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Section: Absorption Coefficientsmentioning

confidence: 92%

Section: Projected Electronic Propertiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

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Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu₃SbS₄

Crespo

2016

J. Phys. Chem. C

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“…The results indicate that with small-width devices efficiencies near to the maximum overall theoretical limit could be achieved. experimental data in [13] ('E1' label), and theoretical data in references [13] ('T1' label) and [18] ('T2' label). The energy scale has been shifted by the respective bandgap energies so that onset to absorption occurs at zero energy.…”

Section: Discussionmentioning

confidence: 99%

“…The experimental CuSbS 2 (CuBiS 2 ) band-gap is between 1.38-1.89 eV [12][13][14][15] (1.65-1.8 eV 16,17 ). In addition to the energy band-gap, a main physical property for photovoltaics is a large absorption in the visible region (1.65 2 -3.1 eV).…”

Section: Introductionmentioning

confidence: 99%

Microscopic Analysis and Applications of the Cu(Sb,Bi)S₂ High Optical Absorption

Tablero

2015

J. Phys. Chem. C

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Ternary Cu(Sb,Bi)S 2 semiconductors are a group of materials with a wide variety of applications, especially photovoltaic. An analysis of the structural, electronic and optical properties obtained from first-principles is presented. The microscopic justification of the high absorption coefficients is carried out by splitting the optical properties on chemical species contributions according to the symmetry. Focusing on photovoltaic applications, and from first-principles results, the efficiencies for several solar spectrums are obtained as a function of the device thickness. This study indicates the great potential of these materials for photovoltaic and other optical devices.

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Uncertainty Quantification of Microstructures: A Perspective on Forward and Inverse Problems for Mechanical Properties of Aerospace Materials

Billah,

Elleithy,

Khan

et al. 2024

Adv Eng Mater

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In this review, state‐of‐the‐art studies on the uncertainty quantification (UQ) of microstructures in aerospace materials is examined, addressing both forward and inverse problems. Initially, it introduces the types of uncertainties and UQ algorithms. In the review, the forward problem of uncertainty propagation in process–structure and structure–property relationships is then explored. Subsequently, the inverse UQ problem, also known as the design under uncertainty problem, is discussed focusing on structure–process and property–structure linkages. Herein, the review concludes by identifying gaps in the current literature and suggesting key areas for future research, including multiscale topology optimization under uncertainty, implementing physics‐informed neural networks to UQ problems, investigating the effects of uncertainty on extreme mechanical behavior, reliability‐based design, and UQ in additive manufacturing.

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Inverse Design of High Absorption Thin‐Film Photovoltaic Materials

Cited by 344 publications

References 25 publications

Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu₃SbS₄

Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu₃SbS₄

Microscopic Analysis and Applications of the Cu(Sb,Bi)S₂ High Optical Absorption

Uncertainty Quantification of Microstructures: A Perspective on Forward and Inverse Problems for Mechanical Properties of Aerospace Materials

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Inverse Design of High Absorption Thin‐Film Photovoltaic Materials

Cited by 344 publications

References 25 publications

Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu3SbS4

Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu3SbS4

Microscopic Analysis and Applications of the Cu(Sb,Bi)S2 High Optical Absorption

Uncertainty Quantification of Microstructures: A Perspective on Forward and Inverse Problems for Mechanical Properties of Aerospace Materials

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Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu₃SbS₄

Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu₃SbS₄

Microscopic Analysis and Applications of the Cu(Sb,Bi)S₂ High Optical Absorption