Cs2TiI6: A potential lead-free all-inorganic perovskite material for ultrahigh-performance photovoltaic cells and alpha-particle detection

Zhao, Peng; Su, Jie; Guo, Yujia; Wang, Lu; Lin, Zhenhua; Hao, Yue; Ouyang, Xiaoping; Chang, Jingjing

doi:10.1007/s12274-021-3801-5

Cited by 37 publications

(18 citation statements)

References 51 publications

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“…The crystal unit of vacancy-ordered perovskites is very similar to that of the double perovskites, formed by doubling the conventional perovskite ABX 3 unit cell along all three crystallographic axes, subsequently removing every other B site cations. [41][42][43][44] Some efforts have been made to fabricate vacancy-ordered double perovskites in the past few years. For example, solvent-thermal method was adopted to fabricate Cs 2 ZrCl 6 (need 180 °C for 10 h), [31] and Cs 2 ZrX 6 (X = Cl, Br) nanocrystals were also got by using strict air-free Schlenk line technique.…”

mentioning

confidence: 99%

Vacancy‐Ordered Double Perovskite Rb₂ZrCl₆₋_xBr_x: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission

Zheng

Chen

Xie

et al. 2021

Advanced Optical Materials

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X-ray imaging, [17][18][19] and light-emitting diodes (LEDs) due to their remarkable optoelectronic properties. [20][21][22][23][24][25][26] However, the lead toxicity and instability are serious issues toward their commercialization, [27,28] promoting the exploration of lead-free perovskite derivatives in the past several years. [29,30] One straightforward approach to replace Pb 2+ is to employ isovalent substitution of Sn 2+ and Ge 2+ owing to the same electronic configuration of ns 2 np 0 . [31] Regrettably, due to the high-energy-lying Sn 2+ 5s 2 and Ge 2+ 4s 2 states, Sn 2+ and Ge 2+ can be easily oxidized into Sn 4+ and Ge 4+ in ambient atmosphere, resulting in dominant defects of halogen vacancies and interstitial metals. [32][33][34] Another strategy to alleviate the toxicity of Pb 2+ is to adopt monovalent B + cations and trivalent B 3+ cations to form double perovskites with a general chemical formula of A 2 B + B 3+ X 6 , [35][36][37] such as Cs 2 AgBiX 6 , Cs 2 AgInX 6 , and Cs 2 AgSbX 6 , which suffer from low emission efficiencies ascribed to indirect bandgaps or direct forbidden bandgaps. [28,[38][39][40] Recently, vacancy-ordered perovskites have emerged as promising candidate for substitution of lead halide perovskites, owing to their advantages of high stability and high defect tolerance. The crystal unit of vacancy-ordered perovskites is very similar to that of the double perovskites, formed by doubling the conventional perovskite ABX 3 unit cell along all three crystallographic axes, subsequently removing every other B site cations. [41][42][43][44] Some efforts have been made to fabricate vacancy-ordered double perovskites in the past few years. For example, solvent-thermal method was adopted to fabricate Cs 2 ZrCl 6 (need 180 °C for 10 h), [31] and Cs 2 ZrX 6 (X = Cl, Br) nanocrystals were also got by using strict air-free Schlenk line technique. [45] Cs 2 TeI 6 film was fabricated by employing antisolvent method under a nitrogen atmosphere with controlled levels of H 2 O (<5 ppm). [46] Cs 2 SnI 6 nanocrystals were synthesized via hot-injection process at high temperature of 220 °C. [47] Obviously, challenges still lay ahead in terms of developing facile and low cost strategies under mild conditions to explore novel vacancy-ordered double perovskites.The grinding approach based on mechanochemistry as one of green and emerging efficient synthetic method which was Lead-free vacancy-ordered double perovskites with formula of A 2 M(IV)X 6 have become promising alternatives to lead halide perovskites. Herein, novel direct bandgap lead-free vacancy-ordered double perovskites Rb 2 ZrCl 6−x Br x (0 ≤ x ≤ 2) with highest photoluminescence quantum yield (PLQY) of 90% are synthesized by using a facile wet grinding approach. Experimental and theoretical analyses demonstrate that the bright emissions originate from the self-trapped excitons (STEs). Additionally, thermally activated delayed fluorescence (TADF) is observed in these perovskites, confirmed by temperature-dependent steadystate PL spectra and ...

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confidence: 99%

Vacancy‐Ordered Double Perovskite Rb₂ZrCl₆₋_xBr_x: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission

Zheng

Chen

Xie

et al. 2021

Advanced Optical Materials

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“…76,77 There are several reports on halide perovskites for α particle detection, including 3D perovskite MAPbBr 3 , MAPbI 3 and CsPbBr 3 , 63,71,78 2D perovskite (BA) 2 PbBr 4 (BA: butylammonium) and (BDA)CsPb 2 Br 7 (BDA: 1,4-butanediamine), 65,79 0D perovskite Cs 4 PbBr 6 and Cs 4 PbI 6 , 72,80 and other perovskite related structures (Cs 3 Bi 2 I 9 , Cs 2 TiI 6 , Cs 2 CrI 6 , etc .). 64,81,82…”

Section: Halide Perovskites For α Particle Detectormentioning

confidence: 99%

“…2D perovskite (BA) 2 PbBr 4 (BA: butylammonium) and (BDA)CsPb 2 Br 7 (BDA: 1,4-butanediamine),65,79 0D perovskite Cs 4 PbBr 6 and Cs 4 PbI 6 ,72,80 and other perovskite related structures (Cs 3 Bi 2 I 9 , Cs 2 TiI 6 , Cs 2 CrI 6 , etc.) 64,81,82. …”

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confidence: 99%

Halide perovskites and perovskite related materials for particle radiation detection

Liu

Zeng

et al. 2022

Nanoscale

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“…The effects on structure, stability and electronic properties in going from the Group 14 d 10 s 0 Sn 4+ to Group 4 d 0 s 0 Ti 4+ cations have been probed, 10,11,23 however the performance limits of these materials remains an open question. Notably, while theoretical methods are found to successfully reproduce the experimental electronic structure of the Te-and Sn-based compounds, 11 a major discrepancy exists for the d 0 Ti-based compounds, 10,14,21,[23][24][25][26][27][28][29] with severe overestimation of the experimental band gap by both hybrid Density Functional Theory (DFT) and Green's function (GW ) methods. So extreme is the error, that these theoretical methods actually yield qualitatively incorrect relative band gap energies for the Sn vs Ti compounds, as we show in this study.…”

Section: Electron (Ti ) P Hole (X )mentioning

confidence: 99%

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

Kavanagh

Savory

Liga

et al. 2022

Preprint

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Low-cost, non-toxic and earth-abundant photovoltaic materials are a long-sought target in the solar cell research community. Perovskite-inspired materials have emerged as promising candidates for this goal, with researchers employing materials design strategies including structural, dimensional and compositional transformations to avoid the use of rare and toxic elemental constituents, while attempting to maintain high optoelectronic performance. These strategies have recently been invoked to propose Ti-based vacancy-ordered halide perovskites (A₂TiX₆; A = CH₃NH₃, Cs, Rb, K; X = I, Br, Cl) for photovoltaic operation, following the initial promise of Cs₂SnX₆ compounds. Theoretical investigations of these materials, however, consistently overestimate their band gaps – a fundamental property for photovoltaic applications. Here, we reveal strong excitonic effects as the origin of this discrepancy between theory and experiment; a consequence of both low structural dimensionality and band localization. These findings have vital implications for the optoelectronic application of these compounds, while also highlighting the importance of frontier-orbital character for chemical substitution in materials design strategies.

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Cs2TiI6: A potential lead-free all-inorganic perovskite material for ultrahigh-performance photovoltaic cells and alpha-particle detection

Cited by 37 publications

References 51 publications

Vacancy‐Ordered Double Perovskite Rb₂ZrCl₆₋_xBr_x: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission

Vacancy‐Ordered Double Perovskite Rb₂ZrCl₆₋_xBr_x: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission

Halide perovskites and perovskite related materials for particle radiation detection

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

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Cs2TiI6: A potential lead-free all-inorganic perovskite material for ultrahigh-performance photovoltaic cells and alpha-particle detection

Cited by 37 publications

References 51 publications

Vacancy‐Ordered Double Perovskite Rb2ZrCl6−xBrx: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission

Vacancy‐Ordered Double Perovskite Rb2ZrCl6−xBrx: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission

Halide perovskites and perovskite related materials for particle radiation detection

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

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Vacancy‐Ordered Double Perovskite Rb₂ZrCl₆₋_xBr_x: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission

Vacancy‐Ordered Double Perovskite Rb₂ZrCl₆₋_xBr_x: Facile Synthesis and Insight into Efficient Intrinsic Self‐Trapped Emission