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ACS Applied Materials & Interfaces · 2025 · IF 8.2

Restrain Phase Segregation by In Situ Buried Prenucleation for Efficient and Stable Wide-Band Gap Perovskite Cells

Shuyi Liu,Sijia La,Xuzheng Feng,Xiaoxu Sun,Xianggang Chen,Zishuo Wang,Jixiang Tang,Longfei Yan,Shuyuan Fan,Molang Cai

The phase segregation of wide-band gap perovskite solar cells (PSCs) typically originates from defect centers and strain induced by nonstoichiometric compounds. In this study, we have discovered an excess of PbI2 at the buried interface in inverted wide-band gap PSCs. To address this issue, RbI is introduced to interact with the excessive PbI2, thereby in situ forming a layer of inorganic perovskite RbPbI3. The presence of RbPbI3 as prenucleation centers facilitates intimate contact and enhances crystallinity of the wide-band gap perovskite, thereby alleviating lattice strain and reducing nonradiative recombination centers. Consequently, ion migration is suppressed, and phase segregation at the buried interface is inhibited. After the addition of RbI, the power conversion efficiency (PCE) of the wide-band gap semitransparent device is increased from 17.96 to 19.5%, and the bifacial factor is 83.4%. Furthermore, after continuous illumination at an intensity equivalent to AM 1.5 G for 1000 h, the device based on RbI retains approximately 81.71% of its initial PCE.

CAS / MDL: 7789-17-5
研究领域: 材料科学 · 能源技术
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APPLIED PHYSICS LETTERS · 2023 ·Vol. 122 ·期 18 · IF 4

Ternary B–C–N compounds layered materials with regulated electronic properties and ultrawide bandgaps

Xu Baoyin,Du Haozhe,Yang Bin,Ding Zhanhui,Wang Xiancheng,Wang Yanchao,Li Ziheng,Li Yongfeng,Yao Bin,Ma Hong-An,Lan Yucheng

The exploration of novel ultrawide bandgap (UWBG) semiconductors is becoming a challenging and compelling research focus on semiconductor physics, materials, and device applications. Ternary B–C–N compounds have attracted much attention because their electronic structure and semiconductor properties are quite different depending on the chemical composition and atomic arrangement of boron, carbon, and nitrogen elements in the lattice. However, the lack of well-controlled high-quality B–C–N crystals has limited their potential as UWBG devices. In this study, B–C–N compounds are synthesized in bulks from graphite and hexagonal boron nitride ( h -BN) using ball milling and high-pressure high temperature technique. The synthesized B–C–N compounds produced are highly crystallized layered-materials with intercalated graphene layers in C-doped h -BN layers. The doped carbon atoms occupy boron sites and nitrogen sites of the h -BN layers unbalanced, giving rise to the n -type conductivity of the B-C-N layered compounds. The measured optical bandgaps range from 3.4 to 6.0 eV, which can be regulated by the carbon content. Their electronic properties are also tunable. Our work is expected to initiate potential applications of the B–C–N material as UWBG semiconductors.

CAS / MDL: 10043-11-5
研究领域: 材料科学 · 半导体物理
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Journal of Materials Chemistry C · 2022 ·Vol. 10 ·期 47 ·18063-18068 · IF 8.067

Centimeter-size single crystal of a lead-free double perovskite for broad-spectrum polarization-sensitive detection

Zhou Li,Qin Chen,Ziyang Wang,Yipeng Fan,Tingting Zhu,Chengmin Ji,Xiaojun Kuang,Junhua Luo

Two-dimensional (2D) lead-based hybrid perovskites with highly intrinsic anisotropy and entertaining semiconductor properties are well suited for polarization-sensitive photodetection. Nonetheless, their chemical instability and environmental hazards hinder their further application. Recenly, 2D double perovskites have received much attention as excellent green alternatives to lead-based perovskites. However, the application of 2D double perovskite in broad-spectrum polarization-sensitive detection has not been explored. In this work, we first grew centimeter-sized crystals (11 × 3 × 1 mm3) of 2D hybrid double perovskite (IPA)4AgBiI8 (IPA is iodopropylamine) with narrow bandgap of Eg = 1.87 eV. Remarkably, the single-crystal photodetectors of (IPA)4AgBiI8 show broad-spectrum polarization-sensitive response, even at 660 nm, with a large dichroism ratio (Iphc/Iphb ≈ 1.23), a large detectivity up to ∼1010 Jones, and a relatively rapid response time (∼450 μs). All these outstanding features combine to produce (IPA)4AgBiI8, an excellent polarized photodetector material. This work introduces a novel 2D hybrid double perovskite material for broad-spectrum polarization-sensitive photodetection.

研究领域: 材料科学 · 光电子学
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Nano Energy · 2017 · IF 12.343

Indacenodithiophene-based wide bandgap copolymers for high performance single-junction and tandem polymer solar cells

Yunlong Ma,Shan-Ci Chen,Zaiyu Wang,Wei Ma,Jinyun Wang,Zhigang Yin,Changquan Tang,Dongdong Cai,Qingdong Zheng

Two wide bandgap copolymers based on bulky indacenodithiophene (IDT) and alkoxylated benzothiadiazole units (PIDTBTO-T and PIDTBTO-TT) with the thiophene or thieno[3,2-b]thiophene (TT) π-bridge are designed and synthesized. The effect of π-bridge on the π-π packing, optical, carrier transport, nano-sized phase separation and photovoltaic properties of the copolymers are investigated in depth. In comparison with the PIDTBTO-T-based counterpart, the best performance solar cell based on PIDTBTO-TT exhibits a higher power conversion efficiency (PCE) of 8.15% which is mainly attributed to the formation of a fibrous network for the active layer based on PIDTBTO-TT. Furthermore, when a novel hybrid electron transport layer (PDIN:PFN) is introduced into a tandem solar cell using the PIDTBTO-TT-based device and a PTB7-Th-based device as the bottom and top cell components, respectively, the resulting solar cell exhibits an outstanding PCE of 11.15% with a large open circuit voltage of 1.70   V. To the best of our knowledge, the PCEs of 8.15% and 11.15% are the highest values reported to date for the single-junction and tandem solar cells using IDT-based copolymers, respectively. Our results demonstrate that the π-bridge modulation is effective in adjusting the charge carrier mobility and photovoltaic performance of IDT-based wide bandgap copolymers for single-junction and tandem devices.

研究领域: 材料科学 · 能源科学
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ACS Applied Materials & Interfaces · 2024 · IF 8.3

Fluorinated Polythiophenes with Alkylthiophene Side Chains Boosting the Performance of Wide Bandgap Perovskite Solar Cells

Dewang Li,Jun He,Guangming Zhu,Zhenhu Zhang,Jiangting He,Miaomiao Li,Fei Zhang,Yanhou Geng

Wide bandgap (WBG) perovskite solar cells (PSCs) provide their merit of high voltage output but are faced with the overdeepened valence band and the notorious phase segregation. Herein, two alkylthiophene-substituted polythiophenes (PT4T-0F and PT4T-2F) are applied as the interfacial layer for the WBG (1.72 eV) PSCs. Compared with PT4T-0F, PT4T-2F with fluoride (F) on thiophene units in a conjugated backbone exhibits more planar configuration, higher hole mobility, and deeper highest occupied molecular orbital energy. By using PT4T-2F as an additive in antisolvent, crystal growth of FA0.83Cs0.17Pb(I0.7Br0.3)3 is successfully mediated, resulting in high ratio (100) plane exposure of the WBG perovskites, and defect passivation is simultaneously realized. The optimized device presents a high open-circuit voltage of 1.23 V and a power conversion efficiency of 19.20%. The long-term stabilities under moisture and thermal conditions are both improved. This work offers an ideal interlayer material for WBG PSC engineering and further provides a simple process to integrate simultaneous crystal mediation and interface optimization.

研究领域: 材料科学 · 能源工程 · 光电技术
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INORGANIC CHEMISTRY · 2024 · IF 4.3

AX·(H2SeO3)n (A = K, Cs; X = Cl, Br; n = 1, 2): A Series of Ionic Cocrystals as Promising UV Birefringent Materials with Large Birefringence and Wide Band Gap

Mengmeng Zhu,Junbo Wang,Lei Hou,Yiwen Yuan,Lili Liu,Yaoqing Chu,Chunmei Huang

The design and syntheses of new birefringent crystals will be of great importance in commercial applications and materials science. A series of ultraviolet (UV) birefringent crystals, AX·(H2SeO3)n (A = K, Cs; X = Cl, Br; n = 1, 2), with large sizes up to 23 × 6 × 3 mm3, was successfully synthesized by simple aqueous solution method. These four compounds belong to three different space groups. Isomorphic KCl·(H2SeO3)2 and CsCl·(H2SeO3)2 crystallize in the P1¯ space group, while CsBr·(H2SeO3)2 and CsCl·H2SeO3 crystallize in the P21/m and P21/c space groups, respectively. They exhibit cocrystal structures composed of [2(H2SeO3)]∞ and [AX]∞ frameworks, ingeniously inheriting the large optical anisotropy of selenite and the wide band gap of alkali metal halide. And it proves that these compounds indeed possess large birefringence (0.1–0.17 at 532 nm) and short UV cutoff edges (227–239 nm), achieving a balance of optical properties. This research affords a simple and viable strategy for the design and syntheses of new UV birefringent crystals. Besides, it is also found that the n value and ionic size (A and X ions) have important influences on the crystal structures and optical properties of AX·(H2SeO3)n. And this will promote further understanding of the alkali metal halide selenite family.

研究领域: 材料科学 · 晶体工程 · 光学材料 · 无机化学
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CRYSTAL GROWTH & DESIGN · 2024 · IF 3.2

Two Mixed Alkali Metal Isocyanurates with Wide Band Gap and Giant Birefringence

Xinyue Wang,Jinhui Wang,Xinyuan Zhang,Fei Liang,Zhanggui Hu,Yicheng Wu

Cyanurate anions are promising functional bulding blocks for birefringent materials. In this work, two new isocyanurates with mixed alkali cations were successfully synthesized by a hydrothermal method, namely, RbK(H2C3N3O3)2·2H2O (I) and Cs3Li(H2C3N3O3)4·3H2O (II). Compounds I and II are both featured with two-dimensional layers constructed by an isocyanurate six-membered ring extending along the bc plane. The characterization results show that both of these two new compounds exhibit wide band gaps (Eg ∼ 5.2 eV) and giant birefringence (Δn > 0.3) simultaneously. Moreover, theoretical calculations are performed to evaluate the relationship between microscopic structures and their anisotropic optical properties, indicating that the π-conjugated groups make a dominant contribution to the optical anisotropy. These findings demonstrate that the combination of alkali cations and merits of π-conjugated (iso)cyanurates would promote the study of optical integrated devices for emerging photonic technologies.

CAS / MDL: 534-17-8 108-80-5
研究领域: 材料科学 · 光学
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Inorganic Chemistry Frontiers · 2025 · IF 6.4

Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps

Zhen-Cheng Wu,Fang-Xu Tian,Rui Xiao,Mao-Yin Ran,Wenlong Liu,Wen-Tong Chen,Sheng-Ping Guo

The study of infrared nonlinear optical (NLO) materials with wide band gaps and high laser induced damage thresholds (LIDTs) is an urgent and challenging topic. Here, we report the NLO properties of CsRESiS4 (RE = Sm, Gd–Ho), which were synthesized by the reactive flux CsCl assisted RExOy–B–S routine. The structure of CsRESiS4, [CsS7] pentagonal bipyramids are orderly arranged to populate the interlayer space created by [RES7] monocapped triangular prisms consolidated [SiS4] tetrahedra. They all exhibit wide band gaps of 3.51–3.95 eV, high LIDTs of 3.6–5.5 × AGS, and NLO activity, with CsHoSiS4 possessing the largest band gap among rare-earth chalcogenides. The theoretical calculation results indicate that [RES7] monocapped triangular prisms are the main source of NLO activity and have a wide band gap. This work provides an effective case for exploring wide band gap infrared NLO materials.

CAS / MDL: 7440-42-8 7704-34-9
研究领域: 材料科学 · 凝聚态物理 · 无机化学 · 光学材料 · 功能晶体
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Energy Technology · 2023 · IF 3.8

Trimethyl Ammonium-Assisted Interfacial Modification for Efficient and Stable Wide-Bandgap Perovskite Solar Cells

Fangxuan Yi,Qiyao Guo,Wei He,Qunwei Tang,Jialong Duan

Wide-bandgap (WBG) perovskite solar cells (PSCs) are acknowledged as promising candidates for tandem solar cells and building photovoltaics. It is well known that cesium-based all-inorganic halide WBG perovskites possess the comparable optoelectronic properties as the organic–inorganic counterparts, but exhibit superior thermal stability. Among them, CsPbIBr 2 is considered a feasible material for tandem solar cells after balancing the bandgap and stability of the inorganic perovskite. However, CsPbIBr 2 PSCs are often subjected to drastic interfacial charge recombination especially in carbon-based device structure derived from the chemical bonding defects (i.e., uncoordinated Pb 2+ ) naked on CsPbIBr 2 soft lattice, which dramatically limits overall efficiency of CsPbIBr 2 WBG PSCs. Herein, a trimethyl ammonium salt hexyltrimethylammonium bromide is presented for CsPbIBr 2 /carbon interfacial modification. Benefiting from the −N + (CH 3 ) 3 passivation effect and −C 6 H 13 hydrophobic alkyl chain, the optimal device with highly smooth morphology and sufficient charge extraction exhibits a champion power conversion efficiency of 11.24% and improved long-term stability with 99.7% and 79.7% efficiency retention under dry air atmosphere and continuous 85 °C thermal stress, indicating the valuable potential application of the lattice solidified CsPbIBr 2 WBG PSCs.

研究领域: 材料科学 · 光伏技术 · 太阳能
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ACS Applied Energy Materials · 2023 · IF 6.4

Synergistic Effect of Ammonium Salts in Sequential Deposition toward Efficient Wide-Band-Gap Perovskite Photovoltaics with PCE Exceeding 20%

Wenjing Qi,Jiale Li,Peng Wang,Hao Ling,Xinpeng Zhang,Xiangyu Li,Lei Tao,Xue Fu,Khumal Sohail,Linchuan Ma,Jingshan Luo,Yuelong Li

The controlled crystallization process is of significance to the morphological quality of wide-band-gap perovskite absorbers, especially with excessive bromide ions. Moreover, the non-radiative recombination assisted by surface defects is one of the major unfavorable factors that confines the development of highly efficient wide-band-gap perovskite solar cells (PSCs). Here, 1.65 eV wide-band-gap PSCs are constructed by a sequential deposition method with tailored morphology of highly reproducible perovskite absorbers. The controlled crystallization with the help of NH4Cl enables the perovskite films with larger and more uniform grains, which result in less bulk defects. At the same time, (NH4)2SO4 as a passivation layer reduces the uncoordinated Pb2+ and Pb0 defects on the surface of the perovskite film and improves the hydrophobicity due to newly formed insoluble PbSO4. Eventually, the synergistic effect of ammonium salts results in a high VOC of 1.18 V and an optimal efficiency of 20.43%, which is one of the highest power conversion efficiencies for 1.65 eV wide-band-gap-based PSCs constructed by a two-step deposition process. This work confirms that the sequential deposition method and addition of proper ammonium salts are effective strategies toward highly efficient and stable wide-band-gap PSCs.

CAS / MDL: 7783-20-2 12125-02-9
研究领域: 材料科学 · 太阳能 · 纳米技术
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CHEMISTRY OF MATERIALS · 2024 · IF 7.2

C(NH2)3MoO3(IO3): A Molybdenyl Iodate with Giant Birefringence Designed via a Cation–Anion Synergetic Interaction Strategy

Wei Zeng,Yao Tian,Xuehua Dong,Ling Huang,Hongmei Zeng,Zhien Lin,Guohong Zou

Birefringent crystals are extensively utilized across diverse optical applications due to their unique property of splitting incident light into dual refracted rays, thereby modulating and controlling light polarization. The pursuit of promoting the birefringence of such crystals to facilitate device miniaturization has recently emerged as a prominent area of focus. In this investigation, we introduce two molybdenyl iodates, namely, C(NH2)3MoO3(IO3) and Rb2MoO2(I2O6)(IO3)2, conceived through a “cation–anion synergetic interaction” strategy. Each compound exhibits a one-dimensional chain structure. Despite processing similar wide band gaps (3.33 and 3.22 eV), these materials display a variance in their birefringence (Δn = 0.426 and 0.261 @546 nm). Notably, C(NH2)3MoO3(IO3) showcases the highest birefringence among all hitherto reported molybdenyl iodates, signifying its potential as a high-performance birefringent crystal. Theoretical analyses indicate that the C(NH2)3+ cation, acting as a birefringence-active unit, significantly bolsters the birefringence of molybdate iodates. Moreover, the presence of extensive hydrogen-bonding interactions between C(NH2)3+ cations and iodates influences the orientation of the highly anisotropic iodates, thereby further enhancing the birefringence of C(NH2)3MoO3(IO3). This research paves the way for the future exploration of organic–inorganic hybrid molybdenyl iodates exhibiting exceptional optical performance.

研究领域: 光学材料 · 晶体学 · 材料科学
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Solar RRL · 2023 ·Vol. 7 ·期 24 ·2300519 · IF 7.9

Additive Combining Passivator for Inverted Wide-Bandgap Perovskite Solar Cells with 22% Efficiency and Reduced Voltage Loss

Yu Gan,Xia Hao,Wei Li,Jingquan Zhang,Lili Wu

Wide-bandgap (WBG) perovskite solar cells (PSCs) play a crucial role in tandem devices. However, the severe nonradiative recombination that occurs at the interface between perovskite and electron transport layer (ETL) leads to excessive open-circuit voltage ( V OC ) loss, which hinders the further improvement of the photovoltaic conversion efficiency (PCE). To mitigate the V OC loss in WBG PSCs, the defects in grains and grain boundaries are reduced as well as the energy-level alignment between perovskite layer and ETL, so as to improve the carrier collection efficiency, is optimized. Herein, potassium thiocyanate is introduced as an additive and 2-thiophenethylammonium bromide (TEABr) is used to passivate perovskite/C 60 interface. The synergistic treatment reduces the defect density and prolongs the carrier lifetime, implying that nonradiative recombination is effectively suppressed. Meanwhile, the energy-level alignment of the perovskite and C 60 is optimized, leading to the improvement of V OC . Finally, WBG PSCs with a bandgap of 1.68 eV achieve a V OC of 1.22 V (with a V OC loss of 0.46 V) and a PCE of 22.02%.

CAS / MDL: 333-20-0
研究领域: 材料科学 · 能源技术 · 光伏器件
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