Investigation of Ag(Ga,In)Se2 as thin-film solar cell absorbers: A first-principles study

Wang, Rong; Dou, Baoying; Zheng, Y. D.; Wei, Su‐Huai

doi:10.1007/s11433-022-1935-3

Cited by 6 publications

(9 citation statements)

References 36 publications

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“…Ga Cu is claimed to be a metastable DX center [ 37 ] and Ga Ag is expected to have a lower formation energy, and sit deeper in the bandgap, when comparing AgGaSe 2 and CuGaSe 2 . [ 38 ] Indeed it is calculated that Ga Ag is similarly likely to form in Ag‐poor, Ga‐rich AgGaSe 2 as V Ag , so it could be present in significant concentrations in our devices. [ 38 ] In contrast, V Se and the ( V Se – V Cu ) complex have relatively high formation energies.…”

Section: Discussionmentioning

confidence: 99%

“…[ 38 ] Indeed it is calculated that Ga Ag is similarly likely to form in Ag‐poor, Ga‐rich AgGaSe 2 as V Ag , so it could be present in significant concentrations in our devices. [ 38 ] In contrast, V Se and the ( V Se – V Cu ) complex have relatively high formation energies. [ 38,39 ] Ag In/Ga is also predicted to be amphoteric, but again has high formation energy, making it unlikely to play a significant role.…”

Section: Discussionmentioning

confidence: 99%

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Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Solar Cells

Pearson,

Keller,

Stolt

et al. 2024

Solar RRL

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Wide‐gap, high‐Ga (Ag,Cu)(In,Ga)Se2 thin‐film solar cells with a wide range of Ag contents are fabricated and characterized before and after dark storage, dark annealing at 85 ∘C, and lightsoaking. A 1:4 ratio of Ag to Cu enhances initial device performance significantly, with excess Ag enhancing carrier collection at the expense of open‐circuit voltage and fill‐factor for close‐stoichiometric devices. For off‐stoichiometric devices, increased open‐circuit voltages are offset by losses in carrier‐collection. Efficiency degradation after treatments is typically increased with additional Ag alloying. A second observation is a behavior threshold identified slightly below an Ag to Cu ratio of 1:1. For compositions below the threshold, the doping response to lightsoaking and dark annealing is similar to that exhibited by low‐Ga Cu(In,Ga)Se2. Above the threshold, it is rather seen that lightsoaking reduces net doping and that dark annealing can even increase net doping. Furthermore, devices above the threshold exhibit a far greater doping responsivity than those below, and display a strong dependence of initial performance and stability on group‐I/group‐III stoichiometry. A third observation is that all devices lose ∼1−2 % (absolute) in efficiency after a three hour lightsoak, indicating that this loss originates from the high Ga content (1:3 In:Ga), rather than the Ag alloying.This article is protected by copyright. All rights reserved.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Solar Cells

Pearson,

Keller,

Stolt

et al. 2024

Solar RRL

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“…The reduction in net doping has been observed in previous studies [17,28,29] and has also been theoretically predicted for Cu-free AgInSe 2 and AgGaSe 2 . [30] The theoretical explanation for reduced net doping is that in the Ag-poor growth regime, the formation energy of In/Ga Ag defects (shallow donors) is lower than, or close to, that of V Ag (shallow acceptors), indicating that the material could be intrinsic, or slightly n-type, if Ga-free, and intrinsic or slightly p-type for the In-free case, due to the very high levels of compensation. Thus the incorporation of Ag into p-type CIS and CIGS leads to a reduced p-type conductivity.…”

Section: Discussionmentioning

confidence: 99%

Investigating the Role of Ag and Ga Content in the Stability of Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Thin‐Film Solar Cells

Pearson

Keller

Stolt

et al. 2023

Physica Status Solidi (b)

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The stability of thin‐film solar cells spanning a wide range of compositions within the (Ag,Cu)(In,Ga)Se2 material system is evaluated over time, after dry‐heat annealing and after light soaking, and the role of Ag and Ga content is explored. Ag‐free CuInSe2 is relatively stable to annealing and storage, while Cu(In,Ga)Se2 suffers a degradation of fill factor and carrier collection. High‐Ga (Ag,Cu)(In,Ga)Se2 suffers degradation of carrier collection after prolonged annealing, reducing the short‐circuit current by ≈12%. Ga‐free (Ag,Cu)InSe2 loses up to a third of open‐circuit voltage and a quarter of fill factor after all treatments are applied. All samples suffer voltage losses after light soaking, with the Ga‐free devices losing up to 50 mV and those containing Ga losing up to 90 mV. Ag incorporation leads to a significant reduction in doping, and a significant increase in the response of doping to treatments, with the depletion width of (Ag,Cu)(In,Ga)Se2 samples expanding from ≈0.1 μm as‐grown to beyond 1.0 μm after all treatments, compared to the Cu(In,Ga)Se2 sample variation of ≈0.1–0.3 μm. Connections between Ag content, doping instability, and performance degradation are discussed.

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“…The crystal structure of α-LiAlTe 2 is similar to AgAlTe 2 . This structure can be seen as the conversion of two Cd in sphalerite Cd 2 Te 2 to Li and Al [38]. This would lead to structural distortion and symmetrical reduction.…”

Section: Structural Properties For Lialte 2 and Agaltementioning

confidence: 99%

“…The reason is that the GGA generally overestimates the lattice constants [39]. The tetragonal lattice distortion parameters for LiAlTe 2 and AgAlTe 2 (η < 1) usually cause the negative crystal field to split [38]. Negative crystal field splitting could reduce the density of states (DOS) near the valence band maximum (VBM), and thus reduce optical absorption near the band edge [38].…”

Section: Structural Properties For Lialte 2 and Agaltementioning

confidence: 99%

Electronic and optical properties for Li_1-xAg_xAlTe₂ alloys: potential transparent conductive material

Kang,

Wang,

Yang

et al. 2024

Phys. Scr.

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Using the hybrid functionals combining the special quasi-random structure methods, the properties of LiAlTe2, AgAlTe2, and their alloys (Li1-xAgxAlTe2) are studied. Our study confirms that both LiAlTe2 and AgAlTe2 are direct wide-band gap semiconductors. Moreover, LiAlTe2 possesses high transmittance in the visual light region. Lattice constants and volume of Li1-xAgxAlTe2 alloys satisfy Vegard's law. The band gaps express nonlinear behavior with the component x, and the optical bowing parameter (bEg) is 0.13. The carriers’ effective mass for Li1-xAgxAlTe2 alloys is rapidly decreased by the presence of Ag. When Ag component reaches 0.125, the electron (hole) effective mass is 0.225 (0.271) m0 (m0: static electron’s mass), and the band gap is 3.034 eV. Low transition temperature suggests Li1-xAgxAlTe2 alloys are stable under experimental conditions. Meanwhile, the Li1-xAgxAlTe2 alloys express excellent ductility, which is beneficial for future flexible device applications. Wide band gap, smaller electron (hole) effective mass, thermodynamic stability, and high transmittance in the visual light region indicate Li0.875Ag0.125AlTe2 alloy is a promising transparent conductive material.

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Investigation of Ag(Ga,In)Se2 as thin-film solar cell absorbers: A first-principles study

Cited by 6 publications

References 36 publications

Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Solar Cells

Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Solar Cells

Investigating the Role of Ag and Ga Content in the Stability of Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Thin‐Film Solar Cells

Electronic and optical properties for Li_1-xAg_xAlTe₂ alloys: potential transparent conductive material

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Investigation of Ag(Ga,In)Se2 as thin-film solar cell absorbers: A first-principles study

Cited by 6 publications

References 36 publications

Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se2 Solar Cells

Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se2 Solar Cells

Investigating the Role of Ag and Ga Content in the Stability of Wide‐Gap (Ag,Cu)(In,Ga)Se2 Thin‐Film Solar Cells

Electronic and optical properties for Li1-xAgxAlTe2 alloys: potential transparent conductive material

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Product

Resources

About

Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Solar Cells

Ag‐Dependent Behavior Threshold and Metastability in Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Solar Cells

Investigating the Role of Ag and Ga Content in the Stability of Wide‐Gap (Ag,Cu)(In,Ga)Se₂ Thin‐Film Solar Cells

Electronic and optical properties for Li_1-xAg_xAlTe₂ alloys: potential transparent conductive material