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Solar RRL · 2018 ·Vol. 2 ·期 10 ·1800144 · IF 0

Efficient Double Buffer Layer Sb2 (SexS1–x)3 Thin Film Solar Cell Via Single Source Evaporation

Muhammad Ishaq,Hui Deng,Shengjie Yuan,Huan Zhang,Jahangeer Khan,Umar Farooq,Haisheng Song,Jiang Tang

Sb 2 (Se x S 1–x ) 3 has been proven a very promising light absorbing material for photovoltaic applications due to its high stability, tunable band gap, non-toxic element, and high extinction coefficient. For Sb 2 (Se x S 1–x ) 3 alloy film deposition, the authors develop a single source based rapid-thermal-evaporation (RTE) method instead of the traditional in-situ sulfurization or double source co-evaporation based RTE method. The absorber band gap can be precisely tuned from 1.1 to 1.7 eV by simply varying the molar ratio of Sb 2 Se 3 and Sb 2 S 3 source powder. From the systematical composition screening, FTO/CdS/Sb 2 (Se 0.68 S 0.32 ) 3 /Au devices show higher power conversion efficiency (PCE ∼ 4.17%) when compared with other absorber compositions based devices. In order to achieve thinner ETL layers and simultaneously avoid pinholes led by rough FTO surface, we introduce for the first time double buffer layer in the Sb 2 (Se 0.68 S 0.32 ) 3 device system which could further improve the device efficiency from 4.17% to 5.73%. The double buffer layer ZnO/CdS helped to form graded energy band alignment, suppress charge recombination and efficiently extract electrons. The devices obtained higher J sc and V oc supported by various physical characterization analyses. The facile single source deposition method, efficient double buffer layer device structure and notable PCE are expected to pronouncedly promote antimony chalcogenide device development.

研究领域: 材料科学 · 光伏技术 · 半导体物理 · 薄膜器件 · 能源材料
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MATERIALS LETTERS · 2014 · IF 2.269

Colloidal synthesis of chalcostibite copper antimony sulfide nanocrystals

Yu Zou,Jiang Jiang

We report the colloidal synthesis of monodisperse phase pure chalcostibite CuSbS 2 nanocrystals in high boiling point solvent. The use of dodecanethiol as ligands had an advantage over oleylamine on avoiding the hydrolysis of Sb precursor. The effect of reaction temperature and Cu/Sb feed molar ratio on the synthesis of copper antimony sulfide nanocrystals in dodecanethiol system was investigated. As a result of the reactivity difference between Cu and Sb precursors, the formation of CuSbS 2 nanocrystals involves the preferential nucleation of Cu-rich nanocrystals and their subsequent reaction with remaining Sb precursors. The band gap of the resulting CuSbS 2 nanocrystals was measured to be ~1.59   eV.

研究领域: 材料化学 · 纳米科学 · 无机化学 · 半导体材料 · 胶体化学
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DALTON TRANSACTIONS · 2022 ·Vol. 51 ·期 41 ·15990-15995 · IF 4.569

Na3YB8O15: a new rare-earth borate with an infinite one-dimensional [B8O15]∞ chain and a short ultraviolet cutoff edge

Jianlong Huang,Chengfa Wu,Jianbang Chen,Zhiyong Guo,Wenjuan Ma,Feng Yu,Bin Dai

A new rare-earth borate Na3YB8O15 was fabricated by the flux method. The compound crystallizes in the P group, and shows a three-dimensional network built by [B8O17] fundamental building blocks (FBBs) with [NaO6], [NaO7], and [YO7] polyhedra. The [B8O17] FBBs are composed of five planar BO3 and three BO4 tetrahedra and connected via corner-sharing to construct a unique one-dimensional (1D) [B8O15]∞ infinity chain that is observed for the first time in the Na2O–Y2O3–B2O3 system compound, enriching the structural diversity of rare-earth borate. The title compound exhibits a short ultraviolet (UV) cutoff edge of ∼195 nm and a wide experimental band gap of 5.50 eV. DFT calculations indicate that Na3YB8O15 is a direct band gap compound with a calculated GGA band gap of 5.14 eV, and the band gap is mainly determined by B 2p and O 2p orbitals. The results update the phase diagram of Na2O–Y2O3–B2O3 and enrich the diversity of rare-earth metal borates.

研究领域: 无机化学 · 材料科学 · 固体化学 · 光电功能材料 · 晶体工程
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2015 ·Vol. 41 ·期 3 ·1550-1558 · IF 3.313

Cation ordering/disordering effects upon photocatalytic activity of CrNbO4, CrTaO4, Sr2CrNbO6 and Sr2CrTaO6

Meilin Lv,Shuang Ni,Zhuo Wang,Tongcheng Cao,Xiaoxiang Xu

Doping has generally been served as one of the most efficient strategies for the improvement of wide band gap semiconductor photocatalysts . However, atomic arrangements of doped elements in the host crystal structure have often been overlooked, particularly during the investigation and evaluation of dopant functionality. It is known that electronic structures of a semiconductor are profoundly controlled by atomic occupancies in different crystallographic positions. Knowledge about dopant accommodations in the crystal structure and their influence towards photocatalytic performance is highly desired. Here, we investigated four compositional and structural relevant compounds CrNbO 4 , CrTaO 4 , Sr 2 CrNbO 6 and Sr 2 CrTaO 6 with the aim to study the effects of cation ordering/disordering upon their photocatalytic activity . Our results showed that ordered cations, namely Cr and Nb/Ta, are detrimental to the photocatalytic performance. Theoretical calculations indicate that cation ordering would enlarge the band gap and inhibit charge transfer between Cr and Nb/Ta. Our findings imply that ordered dopants in photocatalytic materials would severely offset the benefits of doping and might be a reason for the decreased activity at high doping levels often encountered.

研究领域: 材料科学 · 半导体物理 · 光催化 · 固体化学 · 能源材料
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APPLIED SURFACE SCIENCE · 2016 · IF 3.15

Photocatalytic hydrogen production over solid solutions between BiFeO3 and SrTiO3

Lingwei Lu,Meilin Lv,Gang Liu,Xiaoxiang Xu

Constituting solid solutions has been an appealing means to gain control over various physicochemical properties. In this work, we synthesized a series of SrTiO 3 -BiFeO 3 solid solutions and systematically explored their structural, optical and photocatalytic properties. Our results show that all solid solutions crystallize in a primitive cubic structure and their band gap values can be easily tuned by adjusting molar ratios between SrTiO 3 and BiFeO 3 . Photocatalytic hydrogen production under both full range and visible light irradiation is greatly improved after forming solid solutions. The highest hydrogen production rate obtained is ∼180   μmol/h under full range irradiation (λ   ≥   250   nm) and ∼4.2   μmol/h under visible light irradiation (λ   ≥   400   nm), corresponding to apparent quantum efficiency ∼2.28% and ∼0.10%, respectively. The activity is found to be strongly influenced by surface area and light absorption. Theoretical calculation suggests that Fe contributes to the formation of spin-polarized bands in the middle of original band gap and is responsible for the band gap reduction and visible light photocatalytic activity .

研究领域: 材料化学 · 光催化 · 能源材料 · 无机固体化学 · 半导体物理 · 太阳能转化 · 表面科学
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RSC Advances · 2016 ·Vol. 6 ·期 112 ·111052-111059 · IF 3.289

Structural characterizations and up-conversion emission in Yb3+/Tm3+ co-doped ZnO nanocrystals by tri-doping with Ga3+ ions

Yuemei Li,Rui Wang,Yanling Xu,Jianjun Zhou,Zhihua Liu,Xiaojing Yan,Li Ma

ZnO:Yb3+,Tm3+,Ga3+ up-conversion nanoparticles (UCNPs) with sizes of between 20 and 65 nm are synthesized by the hydrothermal method. The size of the nanocrystals is affected by different Ga3+ concentrations. The variation in size has influence on the particles' visible blue and red up-conversion (UC) emission. In this paper, X-ray powder diffraction results show different amounts of gallium substituting for Zn in the ZnO lattice. When the concentration of Ga3+ is 3 mol%, the resulting UCNPs exhibit strong UC emission, longer fluorescence lifetime and narrower band gap. Due to their adjustable size and UC fluorescence properties, ZnO:Yb3+,Tm3+,Ga3+ nanocrystals have broad prospects for future applications in the biomedical field.

研究领域: 材料科学 · 纳米医学 · 生物光子学 · 无机功能材料 · 分子影像
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Journal of Materials Chemistry C · 2019 ·Vol. 7 ·期 5 ·1307-1315 · IF 6.641

Seeded-mediated growth of ternary Ag–In–S and quaternary Ag–In–Zn–S nanocrystals from binary Ag2S seeds and the composition-tunable optical properties

Bin Zeng,Fei Chen,Zhenyang Liu,Zhongyuan Guan,Xu Li,Feng Teng,Aiwei Tang

Herein, we demonstrated a seed-mediated growth method for the synthesis of ternary AgInS2 (AIS) and quaternary Ag–In–Zn–S (AIZS) nanocrystals (NCs) by means of a partial cation exchange with In3+ and Zn2+ ions. Binary Ag2S NCs with different sizes were synthesized first, which then acted as the seeds to prepare different-sized AIS NCs through the incorporation of In3+. The formation mechanism of AIS NCs was studied in terms of the temporal evolution of the morphology and crystal structure, and the heterostructured Ag2S-AIS NCs were formed as intermediates during the growth process of AIS NCs. Variation in the Ag/In feeding ratios from 1 : 1 to 1 : 3 led to a broad tuning of the optical band gap and photoluminescence (PL) maximum of AIS NCs, in which very small-sized AIS NCs with a tetragonal phase were obtained. Subsequently, the incorporation of Zn2+ into AIS NCs resulted in the widening of the optical band gap and the shift of the PL maximum to higher energy with the enhancement of the absolute PL quantum yields (PLQYs). When the reaction temperature was increased, the PL emission maximum could be tuned from 2.04 to 2.33 eV and the absolute PLQYs could be tuned from 16% to 58%. Time-resolved PL spectroscopy was used to study the PL decay dynamics of the AIS and AIZS NCs, and the PL emission was related to the recombination of the surface-related states, intrinsic defects and donor–acceptor (D–A) pairs. The ternary and quaternary Ag-based semiconductor NCs have long-lived excitons, which may have promising applications in the field of energy conversion.

研究领域: 材料科学 · 纳米技术 · 光学
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Energy Technology · 2022 ·Vol. 10 ·期 12 ·2200983 · IF 4.149

Additive Engineering for High-Performance Two-Dimensional Dion–Jacobson Pb–Sn Alloyed Perovskite Solar Cells

Hongxi Shi,Lei Zhang,Hao Huang,Yali Ou,Xiaoting Wang,Ziyu Li,Dan Chi,Shihua Huang

Two-dimensional perovskite materials attract great attentions for the application of perovskite solar cells (PSCs) due to the regulable bandgap and high stability. However, the power conversion efficiency (PCE) of 2D PSCs is far behind in that of three-dimensional PSCs. Herein, Dion–Jacobson (DJ) phase Pb–Sn perovskite of (PhDMA)MA 4 (Pb 0.5 Sn 0.5 ) 5 I 16 in 2D PSCs is introduced, which has suitable bandgap of 1.27 eV and offers the candidate for the absorber of bottom device in all perovskite tandem solar cells. The nonlinear bandgap behavior of 2D Pb–Sn perovskite materials is certified by adjusting the recipe of precursors to vary the bandgap of perovskite films. Moreover, MACl is employed to improve the film quality of 2D Pb–Sn perovskite, leading to the suppression of the defect density and nonradiative recombination for 2D PSCs. As a result, a high PCE of 12.2% is achieved for DJ phase 2D Pb–Sn PSCs.

研究领域: 材料科学 · 光伏技术 · 纳米材料 · 能源化学 · 半导体器件
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DALTON TRANSACTIONS · 2022 ·Vol. 51 ·期 12 ·4728-4733 · IF 4.569

The synthesis and structure–property relation analysis of metal chalcohalide crystals Cs2InPS4X2 (X = Cl, Br) with mixed anions

Chunlan Tang,Wenhao Xing,Naizheng Wang,Jian Tang,Zheshuai Lin,Jieyun Wu,Wenlong Yin,Bin Kang

Inorganic metal chalcohalides are significant semiconductive materials for photovoltaics, photodetetion and infrared optics. Thus it is considerably rewarding to develop a new synthetic strategy to provide more degrees of freedom for atomic coordination to tune the optical and electronic properties of metal chalcohalides. In this work, the mixed-anion strategy is performed to synthesize two new metal chalcohalides Cs2InPS4X2 (X = Cl, Br) with mixed-anion structure by the reaction of InPS4 and CsX. Single-crystal X-ray diffraction analysis shows that they are isostructural and crystallize in the centrosymmetric space group P21/n, consisting of zero-dimensional structure [In2P2S8X4]4− (X = Cl, Br) built from tetrahedral [PS4]3− and octahedral [InS4X2]7− (X = Cl, Br) through edge-sharing, with Cs cations filling in intervening voids. The UV-vis-NIR diffuse reflectance spectroscopy measurement reveals that Cs2InPS4Cl2 and Cs2InPS4Br2 exhibit large optical bandgaps of 3.21 eV and 3.12 eV, respectively. The electronic structure calculations show that the bandgap mainly originates from the [InS4X2]7− (X = Cl, Br) mixed-anion groups. First-principles calculations indicate that the birefringence of Cs2InPS4Cl2 and Cs2InPS4Br2 is ∼0.08 and ∼0.05 at 2090 nm, respectively. Furthermore, thermal analysis reveals that the Cs2InPS4X2 (X = Cl, Br) are thermostable up to 400 °C. This discovery enriches the structural diversity of inorganic chalcohalides and provides an insight for the exploration of new semiconductive materials.

研究领域: 无机化学 · 材料科学 · 半导体物理 · 晶体工程 · 红外光学
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APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING · 2019 ·Vol. 125 ·期 3 ·158 · IF 1.784

Epitaxial Co doped BaSnO3 thin films with tunable optical bandgap on MgO substrate

Gao Dong-Sheng,Gao Xiang-Dong,Wu Yong-Qing,Zhang Tong-Tong,Yang Jing-Nan,Li Xiao-Min

Co doped BaSnO 3 films [BaSn 1 −  x Co x O 3 (0 ≤  x  ≤ 0.50), i.e., BSCO] have been grown on MgO single-crystal substrates via pulsed laser deposition. Effects of the Co-doping level on the crystallinity, the microstructure, and optical properties of the BSCO films are investigated. All the BSCO films are of high crystallinity and grown epitaxially on MgO substrates. The lattice parameter of the (200) plane drops linearly with the increase of the ‘ x ’ value. The Co doping is found to increase the film roughness and the grain size, and a RMS roughness of 8.33 nm and grain size up to 100 nm are observed in the film with x  = 0.50. The low Co-doping level ( x  = 0.05, 0.1) has slight anti-reflection effects on the incident visible light, and the Co-doping level higher than 0.2 reduces the optical transmittance significantly. The optical bandgap shows a first-rising then falling trend with the increase of the Co content, and the lowest bandgap of 1.94 eV is realized in the BSCO film with x  = 0.50.

研究领域: 材料科学 · 凝聚态物理 · 薄膜制备 · 光学材料 · 功能氧化物
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Journal of Materials Chemistry A · 2024 ·Vol. 12 ·期 17 ·10260-10268 · IF 10.7

Defect-level trap optimization in Cu2ZnSn(S,Se)4 photovoltaic materials via Sb3+-doping for over 13% efficiency solar cells

Yingfen Li,Xingye Chen,Runxi Wang,Nian Zhou,Fang Huang,Jun Zhao,Zhenghua Su,Shuo Chen,Guangxing Liang

In this study, Sb2S3 was introduced into the two-step selenization process to promote bottom grain growth and reduce the surface roughness of the Cu2ZnSn(S,Se)4 light-absorber layer. The introduction of Sb doping in Cu2ZnSn(S,Se)4 can passivate bulk and interface defects and a small conduction band offset (CBO) can be found, which facilitate the improvement of heterojunction carrier transport properties. Similarly, simulations illustrated that Sb doping improved device efficiency by controlling bulk and interface defects and band alignment. This optimized method facilitated the penetration of Sb, resulting in a high-quality CZTSSe absorber layer. Ultimately, the research culminated in a significant enhancement, yielding a solar cell with an impressive efficiency of 13.11%. These findings offer new possibilities for kesterite solar cells and advance the potential of CZTSSe materials in thin film photovoltaic applications.

研究领域: 材料科学 · 光伏技术 · 半导体物理 · 薄膜太阳能电池 · 无机功能材料 · 固态电子学
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS · 2022 ·Vol. 24 ·期 44 ·27105-27113 · IF 3.945

Enhanced thermoelectric performance of In-doped and AgCuTe-alloyed SnTe through band engineering and endotaxial nanostructures

Panpan Peng,Chao Wang,Lanwei Li,Shuyao Li,Jing Chen,Pengya Fan,Rui Du,Haotian Si,Zhenxiang Cheng,Jianli Wang

Endotaxial nanostructures can reduce lattice thermal conductivity through enhancing phonon scattering without affecting electrical transport, leading to a high thermoelectric performance. On the other hand, band engineering can enhance electrical transport by improving the Seebeck coefficient through valence band convergence and the resonance level. In this paper, the synergistic effect of band engineering and endotaxial nanostructures was implemented in SnTe thermoelectric materials by alloying with AgCuTe and doping with Indium. The positron annihilation lifetime spectra show that the vacancy concentration in SnTe was reduced after alloying with AgCuTe, which led to a decreasing hole concentration and improved carrier mobility. Additionally, the diffusion of Ag in the matrix during the preparation can facilitate valence band convergence. Therefore, the power factor of SnTe is greatly increased to 18 μW cm−1 K−2 at 800 K, which can be further increased to 21.4 μW cm−1 K−2 at 800 K after In doping due to resonance level formation. Meanwhile, Cu2Te endotaxial nanostructures also can be observed in the TEM image after SnTe alloying with AgCuTe. So, the lattice thermal conductivity significantly reduced to 0.93 W m−1 K −1 in In-doped and AgCuTe-alloyed SnTe. Finally, we obtain an enhanced ZT value of 1.14 in Sn1.02In0.01Te–1%AgCuTe at 800 K.

研究领域: 材料科学 · 凝聚态物理 · 功能材料 · 热电转换 · 纳米结构调控 · 半导体物理 · 能源材料
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