DALTON TRANSACTIONS
·
2021
·Vol. 50
·期 18
·6315-6320
·
IF 4.39
Hongbo Gao,Ruijiao Chen,Kewang Zhang,Ailijiang Abudurusuli,Kangrong Lai,Junjie Li
A new fluorine-containing chalcohalide, Ba4GaS4F3, has been synthesized by conventional high-temperature solid-state reaction. The compound crystallizes in the centrosymmetric space group I41/a with a = b = 16.628 (5) Å, c = 17.139 (10) Å, Z = 16. Experimental and theoretical results confirm that Ba4GaS4F3 is a direct band gap compound with an experimental band gap of about 3.13 eV, and the band gap is mainly determined by the Ba-5p, F-2p and S-3p orbitals. What's more, different from the many newly discovered chalcohalides in the Ba3AM4Q (A = Ga, In; M = S, Se; Q = Cl, Br, I) family, Ba4GaS4F3 is the first reported compound in the Ba4AM4D3 (A = Ga, In; M = chalcogen; D = halogen) family. The results enrich the structural diversity of metal chalcohalides.
研究领域:
材料科学
·
化学
✓ 已验证
DOI
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2025
·
IF 19
Yihao Wang,Zaichun Sun,Bingchu Mei
Bismuth chalcohalides demonstrate tunable optical and electronic properties, offering new orientations for the material design and properties exploration. Recently, bismuth sulfide halides (Bi 13 S 18 X 2 , X═Cl, Br, I) have been regarded as a kind of potential infrared (IR) photoelectrical materials, owing to the narrow bandgap, small effective mass, and low toxicity. In this work, (310)-orientated Bi 13 S 18 Br 2 thin films are synthesized on the α-Al 2 O 3 (0001) single crystal via mist chemical vapor deposition at atmospheric pressure. Bi 13 S 18 Br 2 thin films possessed a narrow bandgap of ≈0.85 eV, suitable for harvesting the light from ultraviolet to the near-IR range. The conduction mechanism of Bi 13 S 18 Br 2 is discussed from 2 to 300 K. The Bi 13 S 18 Br 2 -based photodetector exhibited interesting near-IR photodetection performance, which is comparable and even superior to the well-investigated IR photodetectors. The responsivity reached up to 10.0 and 7.3 A W −1 under the illumination of 808 and 1064 nm light, respectively. This study is expected to contribute to the development of “mixed-anion electronics” and advance photodetection techniques.
研究领域:
材料科学
·
光电技术
✓ 已验证
产品关联
DOI
高影响因子
DALTON TRANSACTIONS
·
2022
·Vol. 51
·期 17
·6638-6645
·
IF 4.569
Lin-Tao Jiang,Ming-Ze Li,Xiao-Ming Jiang,Bin-Wen Liu,Guo-Cong Guo
Mixed-anionic compounds have caught considerable attention due to their flexible coordination manners and abundant physical properties. Four new chalcohalides RbIn4S6Cl (1), CsIn4S6Cl (2), Pb5Sn3S10Cl2 (3) and Pb5Sn3Se10Cl2 (4) were successfully obtained by the high-temperature halide salt flux method. Compounds 1 and 2 have layered structures that consist of octahedral InS6 and aliovalent-anionic InS3Cl units. Compounds 3 and 4 feature 3-D structural frameworks built by [Pb4SnQ8Cl4]6− and [PbSn2Q6]2− (Q = S and Se) polyhedral chains, in which partial Pb2+ cations are coordinated by Q2− and Cl− anions. Compounds 1–4 have optical band gaps close to the wavelength range of visible light and exhibit significant photocurrent responses of 28.75 nA cm−2, 55.12 nA cm−2, 19.58 mA cm−2, and 36.12 μA cm−2 with on/off ratios 30.0, 2.5, 15.7 and 2.6, respectively, implying their potential for photovoltaic applications. To the best of our knowledge, compound 3 has the largest photocurrent response among all non-oxides. In addition, the activation energies of 1–4 are well below 0.3 eV, which makes these compounds interesting for potential applications in electrochemical devices. This work sheds light on the exploration of promising photocurrent response materials in the mixed-anionic compound system.
研究领域:
材料科学
·
物理化学
✓ 已验证
DOI
高影响因子
DALTON TRANSACTIONS
·
2024
·Vol. 53
·期 42
·17200-17206
·
IF 3.5
Wang Zhao,Jiazheng Zhou,Linan Wang,Wenqi Jin,Yingying Kong,Yu Chu,Junjie Li
Pb-based chalcogenides display abundant structural diversity and distinguished properties. Based on a mixed anion and dimensional reduction combined strategy, a wide band gap Pb-based thiohalide, Pb6Ba3Si2S8I10, has been rationally designed and synthesized experimentally by the flux method. The compound crystallizes in the Rc space group with cell parameters a = 9.7925(2) Å, b = 9.7925(2) Å, and c = 70.628(3) Å and is composed of [SiS4] tetrahedra and unprecedented [PbI5S2] polyhedral units, resulting in a unique quasi-two-dimensional structure, which enriches the chemical and structural diversity of Pb-based thiohalides. The experimental band gap of Pb6Ba3Si2S8I10 was determined to be 2.80 eV. Based on statistical analyses and to the best of our knowledge, it is the largest experimental optical band gap among the known Pb-based thiohalides. The results demonstrate the feasibility of using highly electropositive Ba atoms to regulate the dimensions of the structural framework of thiohalides and give new insights into the structure and property modifications of thiohalides by the mixed anion and dimensional reduction combined strategy.
研究领域:
无机化学
·
材料科学
·
固体化学
·
功能材料
·
半导体物理
✓ 已验证
DOI
高影响因子
DALTON TRANSACTIONS
·
2022
·Vol. 51
·期 12
·4728-4733
·
IF 4.569
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
✓ 已验证
DOI
高影响因子
DALTON TRANSACTIONS
·
2025
·Vol. 54
·期 30
·11601-11606
·
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
·
无机化学
·
光学材料
·
固态化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF NON-CRYSTALLINE SOLIDS
·
2017
·
IF 2.124
Quan Guo,Yantao Xu,Haitao Guo,Xusheng Xiao,Changgui Lin,Xiaoxia Cui,Pengfei Wang,Fei Gao,Min Lu,Bo Peng
A serial (100 − x)Ge 25 Sb 10 S 65 -xI (x = 0, 5, 10, 15, 20, 25 and 30 wt%) chalcohalide glasses and ones doped with 0.1 wt% Dy 3 + rare-earth ions were synthesized and their structural, thermal and optical properties were systematically studied. It indicates that addition of I 2 into Ge 25 Sb 10 S 65 glass significantly decreases the connectivity of glass network and average bond energy, and modifies the associated properties. The glass transition temperature and refractive index decrease monotonically, and the density increases almost linearly with the increasing of iodine content in glass. The thermal stability is improved, which has a maximum of ΔT max = 174 °C. While the optical bandgap has a peak value at x = 10 wt%. The absorption spectra and mid-infrared fluorescence spectra of Dy 3 + rare-earth ions doped glasses were investigated together with the Judd-Ofelt analysis. GeS 2 nano-crystals were found in the sample with x ≥ 15 wt%, which is supposed to induce enhancements of mid-infrared fluorescence at 2.95 and 4.32 μm.
研究领域:
材料科学
·
光学
·
固体物理学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）