DALTON TRANSACTIONS
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2025
·Vol. 54
·期 30
·11601-11606
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IF 3.3
Guansong Zheng,Wang Zhao,Xiaoyu Wu,Hongshan Wang,Yinxia Du,Juanjuan Lu,Xiao-dong Zhou,Junjie Li
Chalcohalides, combining the structural and property advantages of chalcogenides and halides, have been demonstrated to be a promising system for the design of advanced photoelectric functional materials. Herein, a new chalcohalide compound, Cs9Si8Se20Cl, has been rationally designed by introducing a nonlinear optical (NLO)-active [Si4Se10] T2-supertetrahedral unit into a halide system and synthesized experimentally by the flux method with CsCl as the flux. The compound is composed of [CsSe7Cl] polyhedral, [CsSe6] octahedral, and [Si4Se10] T2-supertetrahedral units. To the best of our knowledge, the [CsSe7Cl] mixed anionic unit appears for the first time in the compound, and the rare [Si4Se10] T2-supertetrahedral unit has been demonstrated to be a potential NLO-active unit for the design of infrared NLO materials with balanced optical properties. The theoretical calculations uncovered that the strong orbital hybridization between Si-3p, Se-4p and Cl-3p orbitals results in a wide band gap of 3.075 eV in the title compound. The results enrich the structural diversity of chalcohalide compounds and provide valuable insights into the design of wide band gap selenides.
研究领域:
材料化学
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无机化学
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光学材料
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固态化学
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DOI
PubMed
高影响因子
CRYSTAL GROWTH & DESIGN
·
2024
·
IF 3.2
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.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
CHEMISTRY OF MATERIALS
·
2026
·
IF 7
Chao-Hong Xie,Lu Liu,Xiao-Ming Jiang,Bin-Wen Liu,Guo-Cong Guo
Traditional studies on the enhancement of birefringence have primarily focused on the stereochemically active lone pair of cations; however, the presence of lone-pair electrons often raises the valence-band maximum, thereby significantly reducing the band gap, which hinders their broad-range spectrum application. Anions derived from more electronegative elements exert stronger electron-binding ability, leading to lower energy levels of their nonbonding orbitals compared to those of cations and probably providing a new pathway to overcome the existing limitation. Therefore, in this work, we first propose an anion-centered strategy via structural unit center transformation, similar to that observed in perovskites and antiperovskites, and successfully obtained an anion-centered SCALP-containing chalcogenide, β-[Hg3S2][ZnCl3]Cl, which features the anion-centered [SHg3] unit. Remarkably, β-[Hg3S2][ZnCl3]Cl demonstrates remarkable optical performance with a significant birefringence (0.232@546 nm) and a band gap (3.28 eV) that breaks the limit for cation-centered SCALP-containing chalcogenides and approaches the UV region (320 nm). For the first time, this work confirms the significance of the SCALP-driven second-order Jahn–Teller effect in anion-centered units in simultaneously generating a large polarizability anisotropy and widening the HOMO–LUMO gap, establishing a new paradigm for designing potential birefringent materials.
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DOI
高影响因子
Chemical Science
·
2025
·
IF 7.4
Guowei Fu,Jin Li,Qian Zhang,Changjun Lv,Zhiyang Zhang,Xiaoyan Wang,Rihui Wu,Lingxin Chen
Microsatellite instability (MSI) is a hallmark of colorectal cancer in immunotherapy, whose phenotypes mainly involve four mismatch repair (MMR) proteins (MlH1, MSH2, MSH6 and PMS2). Since these MMR proteins are highly interdependent, simultaneous detection of these proteins rather than separate detection in cancer is vital to accurately distinguish the MSI phenotypes. In this study, we fabricated four orthogonal gap-enhanced Raman tags (O-GERTs) flavors with high sensitivity, superb photostability, and completely separated interference-free signal readouts. With antibody functionalization, these multicolored O-GERTs allowed one-shot detection of these four MMR proteins in cancer tissues with high specificity and spectral resolution. Based on the quantitative Raman imaging, these cancer tissues were classified into microsatellite stable (MSS) or high-frequency MSI (MSI-H) subtypes. The detected MSI-H ratios for colorectal, breast and gastric cancers were 13.3%, 6.7% and 3.3%, respectively. Moreover, the correlation between the expression levels of these MMR proteins in colorectal cancer and related clinicopathologic parameters in these subtypes was established for the first time. We further demonstrated that MSI of cancer can serves as a tool for screening Lynch syndrome (a genetic disorder), and predicting potential candidates for immunotherapy by PD1/PD-L1 blockade. To the best of our knowledge, this is the first example of quantitative multiplexed Raman imaging for fast detection of MSI of cancer.
研究领域:
医学
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生物化学
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分子生物学
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DOI
PubMed
高影响因子
Energy Material Advances
·
2024
·
IF 14.8
Yanbing Han,Jiao Fang,Han Zhang,Yiyang Sun,Yifang Yuan,Xu Chen,Mochen Jia,Xinjian Li,Han Gao,Zhifeng Shi
Chalcogenide perovskites represent a promising class of materials known for their robust stability, environmentally friendly composition, and intriguing optoelectronic characteristics. Their A-site cation is largely dependent on nonmagnetic Ca, Sr, Ba elements, showing little influences on the optoelectronic properties of chalcogenide perovskites. Here, by introducing magnetic element Eu as A-site cation, we present a comprehensive investigation into the crystal structures, band characteristics, optoelectronic features, and magnetic behaviors of EuHfS3, targeting for photovoltaics. EuHfS3 adopts a distorted perovskite structure within the Pnma space group. This structure allows for various magnetic configurations, setting foundations for multiple photovoltaic effect. The conduction band maximum primarily originates from the Hf 5d orbitals, akin to SrHfS3. Intriguingly, the presence of Eu spin-up 4f orbitals lifts the covalence band minimum, consequently narrowing the band gap of EuHfS3 (1.6 eV), which is suitable for absorber layer in p-i-n junction solar cells. Moreover, zero field cooled magnetization measurements reveal antiferromagnetic behavior in EuHfS3, indicating further spin photovoltaic effect. The integration of magnetic properties into chalcogenide perovskites, in conjunction with their inherent semiconducting attributes, holds promise for future advancements in photovoltaics and other spintronic device technologies.
研究领域:
材料科学
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光电子学
·
磁学
✓ 已验证
DOI
高影响因子
Chemosensors
·
2025
·Vol. 13
·期 10
·360
·
IF 3.7
Biao-Feng Zeng,Canyu Yan,Ye Tian,Yuxin Yang,Long Yi,Shiyang Fu,Xu Liu,Cuifang Kuang,Longhua Tang
Hydrogen bonding, a prevalent molecular interaction in nature, is crucial in biological and chemical processes. The emergence of single-molecule techniques has enhanced our microscopic understanding of hydrogen bonding. However, it is still challenging to track the dynamic behaviour of hydrogen bonding in solution, particularly under physiological conditions where interactions are significantly weakened. Here, we present a nanoscale-confined, functionalised quantum mechanical tunnelling (QMT) probe that enables continuous monitoring of electrical fingerprints of single-molecule hydrogen bonding interactions for over tens of minutes in diverse solvents, including polar physiological solutions, which reveal reproducible multi-level conductance distributions. Moreover, the functionalised QMT probes have successfully discriminated between L(+)- and D(−)-tartaric acid enantiomers by resolving the conductance difference. This work uncovers dynamic single-molecule hydrogen bonding processes within confined nanoscale spaces under physiological conditions, establishing a new paradigm for probing molecular hydrogen-bonding networks in supramolecular chemistry and biology.
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DOI
高影响因子
MATERIALS LETTERS
·
2013
·
IF 2.224
Hao Wei,Xinglong Ren,Ziyi Han,Tongtong Li,Yanjie Su,Liangming Wei,Fengsong Cong,Yafei Zhang
z We reported that Zn x Cd 1− x S (ZnCdS) nanorods could be synthesized via a facile, nontoxic one-pot method. Structural and optical properties of ZnCdS nanorods were characterized by relevant equipments. The x value (Zn/(Zn+Cd)) could be altered across the entire range from 0.21 to 0.89 by changing the ratio of cation precursor contents. The band gap energy ( E g ) could be tuned linearly from 2.68 eV to 3.59 eV with respect to x . We also performed first-principles calculations to prove the experimental variation trend of band gap energy. Results showed that the replacement between Zn and Cd influenced the distribution of the electronic structure, and therefore determined the band gap energy.
研究领域:
材料科学
·
物理化学
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DOI
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2018
·Vol. 20
·期 39
·25476-25481
·
IF 3.906
Shenglong Chu,Shusheng Pan,Guanghai Li
CsPbCl3 is a promising material to construct future short wavelength optoelectronic devices based on inorganic perovskite semiconductors. In this study, CsPbCl3 microcrystals were synthesized by a solution phase process. It was found that the photoluminescence (PL) intensities of the CsPbCl3 microcrystals can increase by up to five times under persistent irradiation of UV light without peak shifting, accompanied with an increased absorption coefficient above the band gap and decreased PL lifetime. This PL enhancement is a reversible process with excitation light switching on and off. The photoactivation process of the CsPbCl3 microcrystals is attributed to the passivation of the trap states.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CHEMOSPHERE
·
2019
·
IF 5.108
Xiaoxian Zhang,Zhifen Lin
Guidelines of ecological risk assessment (ERA) used worldwide, based on S-shaped threshold dose-response curve, fail to consider hormesis, a biphasic dose-response model represented as a J-shaped or an inverted U-shaped curve, that occurs in real-life environment. Now that humans are routinely exposed to chemicals below the threshold where hormetic stimulation prevails, it is noteworthy that over-strictness about chemical control also means a waste of limited resources. So hormesis leads to the gap between guidelines with S-shaped model and reality with hormesis model concerning ERA. In this study, hormetic effects of sulfachloropyridazine (SCP) on the bioluminescence of Aliivibrio fischeri ( A. f ) under 41 conditions to simulate the real environment were investigated and compared with ERA practice by some parameters, such as no observed effect concentration (NOEC), hormetic-stimulatory range (HSR) and goal concentration (GC). Not only is the reproducibility of hormesis in real-life contexts confirmed, binomial distribution (p = 0.644 > 0.05) of the relative position of GC and HSR is also found, revealing a 50% probability for GC to falls in HSR, which proves the over-strictness of ERA both qualitatively and quantitatively. This study provides a novel view for ERA that hormetic principles should dominate, and conditions where S-shaped dose-response model works should be singled out on a specific basis to bridge the hormesis-induced gap.
研究领域:
环境科学
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毒理学
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DOI
PubMed
高影响因子
ACS Applied Materials & Interfaces
·
2015
·
IF 6.723
Ding Wei,Lihua Yao,Song Yang,Zhentao Cui,Bingxue Wei,Minhua Cao,Changwen Hu
In2TiO5, containing both early transition metal (d0) and p-block metal (d10), is a very promising candidate for possible application in H2 production because of its suitable edges of conduction and valence bands and the crystal structure, which is considered to favor mobility of charge carriers. Herein we report, for the first time, the synthesis of novel oxygen vacancies (OV), N-doped In2TiO5 (OV,N–In2TiO5) with controllable band gap. The resultant OV,N–In2TiO5 sample was prepared by a multistep sol–gel calcination process and studied as a near-infrared (NIR) light-driven photocatalyst for H2 production. OV and N-doping can effectively extend the photoresponse of In2TiO5 to the NIR region due to an interband springboard and the reduced band gap, thus leading to efficient NIR light photocatalytic H2 production activity with Pt as a cocatalyst.
研究领域:
材料科学
·
能源化学
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产品关联
DOI
PubMed
高影响因子
Advanced Optical Materials
·
2022
·Vol. 10
·期 5
·2101762
·
IF 10.05
Guangpeng Zhu,Xiuqi Shi,Guangyan Huang,Kaizhen Liu,Wei Wei,Qianqian Guo,Wei Du,Tao Wang
As contemporary star materials, 2D monolayer semiconductors have drawn huge research interests owing to their striking electrical and optical properties, rendering them ideal candidates as building blocks for novel optoelectronic devices. Towards light emitting devices with extended functions, it is necessary to manipulate the polarization of light emission from monolayer semiconductors. However, most of these monolayer semiconductors exhibit no or very limited polarization sensitivity inherited from their structural anisotropy, making it challenging to develop highly polarized light sources. Herein, by embedding monolayer tungsten diselenide (WSe 2 ) in a nanowire-on-film nanocavity, highly polarized light emission is demonstrated, featuring degree of polarization (DoP) of ≈99%. The highly anisotropic light emission originates from the near-field coupling between the WSe 2 monolayer with the polarization-dependent gap plasmons of the nanowire-on-film nanocavity. Moreover, as the width of the nanowire essentially defines the gap-plasmon resonance of the nanowire-on-film nanocavity, the anisotropy of the highly polarized light emission is systematically tuned by changing the nanowire width. The findings pave the way for engineering anisotropic optical properties of monolayer semiconductors and will boost the development of functional polarization-sensitive 2D optoelectronic devices.
研究领域:
光学
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材料科学
·
纳米技术
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DOI
高影响因子
Applied Physics Reviews
·
2023
·Vol. 10
·期 2
·
IF 15
Hu Chuqiao,Du Zhijian,Wei Zhongming,Li La,Shen Guozhen
Ti3C2Tx MXene as a representative material in the emerging two-dimensional (2D) MXene family with high conductivity, abundant functional surface terminals, and large layer spacing is supposed to show specific semiconducting properties like other 2D graphene or transition metal dichalcogenides, thus extending Moore's law beyond silicon. However, despite extensive efforts, the design of Ti3C2Tx MXene based semiconductor materials often depends on the availability of traditional semiconductors to form heterojunctions, where Ti3C2Tx MXene is still in metallic characters and is not in dominant status in the heterojunctions. Here, we demonstrate semiconducting Ti3C2Tx MXene modified with dodecyl (−C12H26) groups, as functionalized Ti3C2Tx MXene possesses opened and typical layer-dependent bandgap. The new arising characteristics, red-shift of characteristic peaks, and intensity ratio of the A1g(C)/A1g(Ti, C, Tx) in Raman spectroscopy suggested the successful grafting of the −C12H26 groups on the Ti3C2Tx MXenes. In addition, the theoretical calculations by density functional theory, photoluminescence spectrum, together with photoelectric measurements of Ti3C2Tx-C12H26 MXene on different layers, show a tunable bandgap of 0.49–2.15 eV and superior photoresponse properties in fabricating near infrared photodetectors.
研究领域:
材料科学
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半导体物理
·
光电子学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）