Gradient formation and charge carrier dynamics of CuBiI<sub>4</sub>based perovskite-like solar cells

Yu, Haili; Zhang, Busheng; Qi, Ruijuan; Qu, Nannan; Zhao, Chaoliang; Yan, Lei; Yang, Xiaogang; Zheng, Zhi

doi:10.1039/c9se01288e

Cited by 11 publications

(21 citation statements)

References 46 publications

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“…Further, spark plasma sintering (SPS) was performed to make a high-density pellet for thermal conductivity measurement. It should be mentioned here that previously CuBiI 4 thin films were synthesized for solar cell-based applications. , The powder X-ray diffraction (PXRD) pattern of polycrystalline CuBiI 4 is well matched with the cubic Fd m crystal system, as shown in Figure b. The obtained lattice parameter from Rietveld refinement is 12.056 Å (Figure S2, Table S1, SI).…”

Section: Resultsmentioning

confidence: 99%

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI₄

et al. 2023

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Chemical bonding present in crystalline solids has a significant impact on how heat moves through a lattice, and with the right chemical tuning, one can achieve extremely low thermal conductivity. The desire for intrinsically low lattice thermal conductivity (κ lat ) has gained widespread attention in thermoelectrics, in refractories, and nowadays in photovoltaics and optoelectronics. Here we have synthesized a high-quality crystalline ingot of cubic metal halide CuBiI 4 and explored its chemical bonding and thermal transport properties. It exhibits an intrinsically ultralow κ lat of ∼0.34−0.28 W m −1 K −1 in the temperature range 4−423 K with an Umklapp crystalline peak of 1.82 W m −1 K −1 at 20 K, which is surprisingly lower than other copper-based halide or chalcogenide materials. The crystal orbital Hamilton population analysis shows that antibonding states generated just below the Fermi level (E f ), which arise from robust copper 3d and iodine 5p interactions, cause copper−iodide bond weakening, which leads to reduction of the elastic moduli and softens the lattice, finally to produce extremely low κ lat in CuBiI 4 . The chemical bonding hierarchy with mixed covalent and ionic interactions present in the complex crystal structure generates significant lattice anharmonicity and a low participation ratio in low-lying optical phonon modes originating mostly from localized copper−iodide bond vibrations. We have obtained experimental evidence of these low-lying modes by low-temperature specific heat capacity measurement as well as Raman spectroscopy. The presence of strong p−d antibonding interactions between copper and iodine leads to anharmonic soft crystal lattice which gives rise to low-energy localized optical phonon bands, suppressing the heat-carrying acoustic phonons to steer intrinsically ultralow κ lat in CuBiI 4 .

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Section: Resultsmentioning

confidence: 99%

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI₄

et al. 2023

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“…As for the CuBiI 4 with defectspinel-type cubic structure, [81] Zheng and co-workers employed a highly facile method to in situ fabricate CuBiI 4 with a favorable bandgap of 1.81 eV. [82] In 2005, Oldag et al prepared the AgBiI 4 and Ag 3 BiI 6 via solvothermal method from nonstoichiometric mixtures of AgI and BiI 3 . [83] The prepared AgBiI 4 crystallizes in space group Fd3 m with edge-sharing bismuth and silver octahedral, while the Ag 3 BiI 6 crystallizes in space group R3 m. For the AgBi 2 I 7 , Sargent and co-workers reported that it crystallized in a cubic Fd3 m phase with a lattice parameter of 12.223 Å.…”

Section: A 2 Bbix 6 Double Perovskitesmentioning

confidence: 99%

Recent Progress and Challenges of Bismuth‐Based Halide Perovskites for Emerging Optoelectronic Applications

Chen

Jia

et al. 2022

Advanced Optical Materials

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Recently, the lead-halide perovskites have aroused great interest for advanced optoelectronic applications due to their excellent optoelectronic characteristics including large light absorption coefficients, high charge carrier mobility, prolonged charge carrier lifetime, large carrier diffusion lengths, outstanding defects tolerance, and low-cost solution processability. [1][2][3][4] In 2009, Miyasaka and co-workers initially used the perovskites as absorbers in photovoltaic devices, and obtained a power conversion efficiency (PCE) of 3.8%. [5] Within a short period of a decade, the maximum certified PCE of single-cell perovskite-based photovoltaic devices has reached 25.8%, which is comparable to that of the commercial crystalline Si solar cells. [6] Besides the photovoltaic devices, [7][8][9] the perovskites also have been applied to the photodetectors, [10,11] photocatalysis, [12,13] field-effect transistors, [14,15] light-emitting diodes (LEDs), [16][17][18][19] X-ray imaging, [20][21][22] lasing, [23,24] and so on. Despite a series of impressive advances achieved in above fields, the practical industrialization of these emerging technologies still suffers from two thorny issues, namely, the lead toxicity and the poor stability against light, heat, and humidity. [25][26][27] Thus, searching for less-or nontoxicity and environmentally stable perovskites with similar optoelectronic properties of lead-halide perovskites would be an emerging and effective pace for the commercial applications.Based on the previous researches, the excellent optoelectronic properties of Pb-based perovskite materials originate from the unique atomic electronic configuration with lone-pair Pb 6s 2 electrons and an empty Pb 6p orbital, as well as its large size and heavy mass, contributing to a strong spin-orbit coupling. [28][29][30] Therefore, the stable and nontoxic substitutes of Pb element should have the similar atomic electronic configuration. Theoretically, the most suitable choice for Pb replacement is to use the group-14 metal elements with the same lone-pair s orbitals as Pb, such as tin (Sn) and germanium (Ge). [31][32][33] However, Sn-and Ge-based perovskites show very poor stability because of the rapid oxidation of Sn 2+ and Ge 2+ to +4 states. Furthermore, Sn might be even more toxic than Pb for human beings upon dispersion into the environment.Recently, metal halide perovskites have attracted extensive attentions owing to their superior optoelectronic properties in various device applications, such as solar cells, photodetectors, light-emitting diodes, lasing, photocatalysis, etc. Up to now, the state-of-the-art developments of perovskite-based devices are most using the lead-halide perovskite system. However, the presence of lead (Pb) in these devices, which is insidious bioaccumulative hazard to human bodies, and a poor stability against light, heat, and humidity hamper their practical applications and future commercialization. Therefore, the scientific community is searching for low-toxicity and environmentalfriend...

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“…In turn, polycrystalline thin films of these materials have been fabricated using various deposition strategies, such as spin-coating, [66,68] direct metal surface elemental reaction (DMSER), [101,102] and coevaporation. [71,103] In regard to optoelectronic devices, the material and film qualities are critical, as they affect the series and shunt resistances, carrier generation and extraction, recombination processes, and photon detection sensitivity. While phase-pure crystal growth commonly requires synthesis optimization or modification to attain a critical saturation point and nucleation, the film quality and coverage can be improved by accessing reliable and scalable solution-or vapor-based thin-film formation strategies.…”

Section: Synthesis and Thin-film Depositionmentioning

confidence: 99%

“…Moreover, CuBiI 4 is a promising candidate for tandem solar cells due to its suitable bandgap (1.8 eV) and photoelectric properties comparable to those of lead-based perovskites. [66,101,103] However, further modification of the synthesis process is required to improve the film morphology and its optoelectronic properties. Cu 3 SbI 6 , which has an indirect bandgap of ≈2.4 eV, has also been investigated as a photoactive material in solar cells.…”

Section: Cu X B Y I X+3y (B = Bi 3+ or Sb 3+ )mentioning

confidence: 99%

“…The metal ratio was varied by depositing a copper layer of different thicknesses (10–30 nm) on top of a 60 nm bismuth layer and exposing the resulting material to the I 2 vapors for various periods (18–30 h). [ 103 ] Implementation of this strategy improved the morphology and several optoelectronic properties of the films, as discussed in Section 4 below.…”

Section: Synthesis and Thin‐film Depositionmentioning

confidence: 99%

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Rudorffites and Beyond: Perovskite‐Inspired Silver/Copper Pnictohalides for Next‐Generation Environmentally Friendly Photovoltaics and Optoelectronics

Chakraborty

Pai

Zhao

et al. 2022

Adv Funct Materials

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In the wake of lead-halide perovskite research, bismuth-and antimony-based perovskite-inspired semiconducting materials are attracting increasing attention as safer and potentially more robust alternatives to lead-based archetypes. Of particular interest are the group IB-group VA halide compositions with a generic formula A x B y X x+3y (A + = Cu + /Ag + ; B 3+ = Bi 3+ /Sb 3+ ; X -= I -/Br -), i.e., silver/copper pnictohalides and derivatives thereof. This family of materials forms 3D structures with much higher solar cell efficiencies and greater potential for indoor photovoltaics than the lower-dimensional bismuth/ antimony-based perovskite-inspired semiconductors. Furthermore, silver/ copper pnictohalides are being investigated for applications beyond photovoltaics, e.g., for photodetection, ionization radiation detection, memristors, and chemical sensors. Such versatility parallels the wide range of possible compositions and synthetic routes, which enable various structural, morphological, and optoelectronic properties. This manuscript surveys the growing research on silver/copper pnictohalides, highlighting their composition-structure-property relationships and the status and prospects of the photovoltaic and optoelectronic devices based thereon. The authors hope that the insights provided herein might accelerate the development of eco-friendly and stable perovskiteinspired materials for next-generation photovoltaics and optoelectronics.

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Gradient formation and charge carrier dynamics of CuBiI₄based perovskite-like solar cells

Abstract: The formation of a Bi gradient with a Bi/Cu bilayer as the precursor can improve the photoinduced charge carrier transportation in CuBiI4 films.

Cited by 11 publications

References 46 publications

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI₄

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI₄

Recent Progress and Challenges of Bismuth‐Based Halide Perovskites for Emerging Optoelectronic Applications

Rudorffites and Beyond: Perovskite‐Inspired Silver/Copper Pnictohalides for Next‐Generation Environmentally Friendly Photovoltaics and Optoelectronics

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Gradient formation and charge carrier dynamics of CuBiI4based perovskite-like solar cells

Abstract: The formation of a Bi gradient with a Bi/Cu bilayer as the precursor can improve the photoinduced charge carrier transportation in CuBiI4 films.

Cited by 11 publications

References 46 publications

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI4

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI4

Recent Progress and Challenges of Bismuth‐Based Halide Perovskites for Emerging Optoelectronic Applications

Rudorffites and Beyond: Perovskite‐Inspired Silver/Copper Pnictohalides for Next‐Generation Environmentally Friendly Photovoltaics and Optoelectronics

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Gradient formation and charge carrier dynamics of CuBiI₄based perovskite-like solar cells

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI₄

Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI₄