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INORGANIC CHEMISTRY · 2019 · IF 4.85

Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)

Wenyao Zhang,Zhonglei Wei,Zhihua Yang,Shilie Pan

By using cation modulation strategy, a series of fluorooxoborates A3B3O3F6 (A = alkali and mixed alkali metal) were designed and successfully obtained via open high-temperature solid-state method for the first time, and single-crystal X-ray diffractions were used to determine their structures. The isolated B3O3F6 benzene-like ring structure in the title compounds is beneficial to obtain short ultraviolet absorption edge (<190 nm), which was confirmed by the UV–vis–NIR diffuse reflectance spectra. Owing to the cation size effect, there are some subtle differences in the alignment of the anionic groups. In addition, theoretical calculations were carried out to understand their electronic structures and optical properties.

研究领域: 材料科学 · 无机化学 · 固体物理
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SEPARATION AND PURIFICATION TECHNOLOGY · 2019 · IF 5.107

The effective role of reduced-graphene oxide in visible light photocatalytic activity of wide band gap SrTiO3 semiconductor

M. Ahmadi,M.S. Seyed Dorraji,M.H. Rasoulifard,A.R. Amani-Ghadim

Strontium titanate (SrTiO 3 ) with wide band gap, is only active under UV light irradiation and not under visible light. On the other hand, occupies about 3–5% of the solar spectrum falls in the UV range. Hence, modification of SrTiO 3 is necessary to improvement of the photocatalytic activity of it. In this work, coupling of SrTiO 3 (STO) on reduced Graphene Oxide (rGO) was studied for its enhanced photocatalytic activity under visible light irradiation. The enhanced activity can be partially attributed to the transfer of photoexcited electrons and holes in the STO/rGO semiconductor. Understanding the rGO/semiconductor interaction is of key importance for the design and synthesis of next generation photocatalytic materials for efficient photocatalytic activity and environmental clean-up applications. Hence, the separation mechanisms of photogenerated electrons and holes for STO/rGO semiconductor have been a research focus. Based on the experiment results, a possible mechanism of the photocatalysis over STO/rGO were investigated by photoluminescence technique (PL) and DRS analysis. Determining free radical ways in the presence of appropriate scavengers of oxidation to fit the experimental results was also further discussed. In this mechanism, the rGO acts as photosensitizer for wide band gap of STO semiconductor which can be photoexcited for generating electron and hole pairs.

研究领域: 材料科学 · 环境科学
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MATERIALS & DESIGN · 2018 · IF 4.525

Structure and band gap tunable CuInS2 nanocrystal synthesized by hot-injection method with altering the dose of oleylamine

Liwang Liu,Hong Li,Zirui Liu,Ya-Hong Xie

By hot-injection method with altering the dose of oleylamine (OAm) in a reaction system, CuInS 2 (CIS) nanocrystal with tunable structure and band gap is synthesized. Through various measurements, including X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS), it is demonstrated experimentally that when the dose of OAm is relatively high (2.0 and 2.5   ml in this work), the combination phase of pseudo-chalcopyrite/wurtzite are obtained with a surprising existence of nanotwins. Besides, the molar fraction of wurtzite is larger in the sample using 2.5   ml OAm in the reaction system. However, when the dose of OAm becomes low, (0, 1.0 and 1.5   ml), pure zinc-blende CIS pyramidal quantum dots (QDs) can be prepared. This indicates that oleylamine promotes the formation of wurtzite structure. In addition, the band gap is larger with increasing of OAm, following the quantum refinement effects. This work serves as a facile method of synthesizing CIS nanocrystal with tunable structure and band gap, which will be possibly applied in the fabrication of their optoelectronic devices.

CAS / MDL: 7681-65-4
研究领域: 材料科学 · 纳米技术 · 光电子学
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SOLAR ENERGY · 2017 · IF 4.018

Enhanced efficiency and stability in low band-gap polymer solar cells by introducing nickel acetate as anode interlayer

Zelin Li,Zidong Li,Xiaoli Zhao,Tong Zhang,Fan Wu,Dalei Yang,Xiaoniu Yang

Nickel acetate (Ni(Ac) 2 ) was successfully introduced to the low band-gap system for the first time and incorporated as the anode interlayer in conventional polymer solar cells (PSCs). For PBDT-TS1/PC 71 BM system, the device based on as-prepared Ni(Ac) 2 performs a lower power conversion efficiency (PCE) of 6.26% in comparison to that of PEDOT:PSS-based device (6.56%). After appropriate pre-bias treatment, the device efficiency rapidly increases to 7.27%, which is 11% and 16% higher than that of PEDOT:PSS- and as-prepared Ni(Ac) 2 -based device, respectively, due to the suppressed charge recombination and enhanced hole transport at anode interface. More importantly, device with pre-bias treated Ni(Ac) 2 as anode interlayer exhibits significantly improved lifetime in N 2 atmosphere. The Ni(Ac) 2 -based PSCs could maintain almost 85% of its original PCE after 200   h, while PEDOT:PSS-based PSCs only retains 60% of its original efficiency. This work demonstrates that the low-cost Ni(Ac) 2 is an ideal anode interlayer material, which could simultaneously improve the device efficiency and stability, to replace the widely used and high-cost PEDOT:PSS.

CAS / MDL: 6018-89-9
研究领域: 材料科学 · 能源技术
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS · 2016 ·Vol. 18 ·期 46 ·31513-31520 · IF 4.449

In situ growth of sulfide/g-C3N4 nano-heterostructures with an adjusted band gap toward enhanced visible photocatalysis

Yumeng Liu,Xiao Zhang,Junpeng Wang,Ping Yang

In this study, the nano-heterostructures of Zn1−xCdxS (0 < x < 1) nanoparticles and small g-C3N4 nanosheets (Zn1−xCdxS/CN) were prepared via in situ growth. Bulk g-C3N4 was first delaminated into thin layers by an acid and alkali assisted ultrasound method. Zn1−xCdxS nanoparticles were deposited on the surface of small g-C3N4 nanosheets in situ to fabricate Zn1−xCdxS/CN photocatalysts. The absorption band edges of the as-prepared Zn1−xCdxS/CN composites shifted to a longer wavelength region compared to g-C3N4. The Zn1−xCdxS/CN heterojunctions revealed super-enhanced visible-light photocatalytic activities compared to pure g-C3N4 and Zn1−xCdxS nanoparticles. To investigate the composition dependence, the mass ratios of Zn1−xCdxS and g-C3N4 were adjusted. Zn0.8Cd0.2S nanoparticles (5 wt%) grown in situ on g-C3N4 nanosheets as sample 5-Zn0.8Cd0.2S/CN revealed a very high photocatalytic activity compared to other Zn0.8Cd0.2S/CN and CdS/CN samples where the degradation of RhB was up to 99% within 15 min under visible light irradiation. This was ascribed to the well-matched band gap structure, large specific surface area and intimately contacted interfaces. The controllable band gap of the Zn1−xCdxS/CN composites was a key factor for their enhanced photocatalytic performance. In addition, O2− was the leading reactive oxidative species in this photocatalytic process in the 5-Zn0.8Cd0.2S/CN composite system.

研究领域: 材料科学 · 环境科学 · 化学
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CRYSTALLOGRAPHY REPORTS · 2018 ·Vol. 63 ·期 3 ·433-437 · IF 0.762

Synthesis, Structure, and Band Gap of a Novel Inorganic–Organic Hybrid Material Based on Antimony Halide and Organoamine

Long Ji-Ying,Yan Zhi-Shuo,Gong Yun

Using an organoamine, 2,5-bis (1-imidazoly) pyridine (L), a novel inorganic-organic hybrid material based on antimony halide formulated as {(CH 3 ) 2 L} 2+ {(Sb 4 Cl 8 I 8 ) 0.5 } 2– ( 1 ) was synthesized in situ via solvothermal technique and characterized by the single-crystal X-ray diffraction. During the synthesis, the organoamine L was transformed in situ into the imidazolium ion, {(CH 3 ) 2 L} 2+ . In the compound 1 , four Sb(III) ions are linked by two \({u_{{3^ - }}}\) I – and four u \({u_{{2^ - }}}\) I – ligands into a (Sb 4 I 8 Cl 8 ) 4– unit, in which eight Cl – ions and two I – ions act as the terminal ligands. The uncoordinated {(CH 3 ) 2 L} 2+ organoamine moieties are linked with the (Sb 4 I 8 Cl 8 ) 4– clusters via H bonds into three-dimensional (3D) supramolecular architecture. The band structure calculation shows that the compound has an indirect band gap of 2.253 eV.

CAS / MDL: 10025-91-9
研究领域: 材料化学 · 晶体学
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CATALYSIS TODAY · 2024 · IF 5.2

A novel Cr2O3/Cr-doped g-C3N4 photocatalyst with a narrowed band gap for efficient photodegradation of tetracycline

Sen Wang,Hong Chen,Qing Lin,Qian Lu,Wei Lv,Can Wang,Linhao Yu,Yingying Li,Yongdan Li

Two significant strategies for enhancing photocatalyst performance are heterojunction construction and band gap modulation, but up until now, these methods have typically been treated separately. This work examines a strategy combining the heterojunction with a mid-gap state to prepare a novel Cr 2 O 3 modified Cr-doped g-C 3 N 4 photocatalyst for antibiotics degradation. According to the characterization results, the integration of Cr 3d orbital energy level into the original band gap of g-C3N4 results in the formation of Cr-doped g-C 3 N 4 , leading to a reduction in the band gap from 2.80 eV to 2.36 eV. Besides, the constructed Z-type heterojunction enhances the separation of photoinduced carriers. The degradation experiments of tetracycline proved the significant enhancement in the photocatalytic performance of the prepared catalyst. In addition, the degradation effect of the prepared catalyst on tetracycline in micro-polluted lake water was also investigated, revealing the applicability of the catalyst in the purification of natural water environments.

CAS / MDL: 6381-92-6 108-78-1
研究领域: 环境科学 · 材料科学
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CHEMISTRY-A EUROPEAN JOURNAL · 2019 ·Vol. 26 ·期 10 ·2285-2292 · IF 5.16

Band-Gap and Charge Transfer Engineering in Red Phosphorus-Based Composites for Enhanced Visible-Light-Driven H2 Evolution

Ying Xuan,Huiying Quan,Zhurui Shen,Chenxi Zhang,Xiyuan Yang,Lan-Lan Lou,Shuangxi Liu,Kai Yu

Graphical Oxygen covalent functionalization of elemental photocatalysts : A facile and versatile one-step strategy to endow elemental photocatalysts with promoted charge carrier separation ability and photocatalytic H 2 evolution activity is reported, in which band-gap engineering and heterojunction construction are employed to achieve the oxygen covalent functionalization of amorphous red phosphorus (RP) and in situ modification of CdCO 3 . It is known that the low lifetime of photogenerated carriers is the main drawback of elemental photocatalysts. Therefore, a facile and versatile one-step strategy to simultaneously achieve the oxygen covalent functionalization of amorphous red phosphorus (RP) and in situ modification of CdCO 3 is reported. This strategy endows RP with enhanced charge carrier separation ability and photocatalytic activity by coupling band-gap engineering and heterojunction construction. The as-prepared n CdCO 3 /SO-RP ( n= 0.1, 0.25, 0.5, 1.0) composites exhibited excellent photocatalytic H 2 evolution activity (up to 516.3 μmol g −1 h) from visible-light-driven water splitting ( λ >400 nm), which is about 17.6 times higher than that of pristine RP. By experimental and theoretical investigations, the roles of surface oxygen covalent functionalization, that is, prolonging the lifetime of photogenerated carriers and inducing the negative shift of the conduction band potential, were studied in detail. Moreover, the charge transfer mechanism of these composites has also been proposed. In addition, these composites are stable and can be reused at least for three times without significant activity loss. This work may provide a good example of how to promote the activity of elemental photocatalysts by decorating their atomic structure.

CAS / MDL: 64-19-7 18497-13-7
研究领域: 材料科学 · 光催化化学
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Frontiers in Materials · 2022 · IF 3.985

Band-Gap and Dimensional Engineering in Lead-Free Inorganic Halide Double Perovskite Cs4Cu1-xAg2xSb2Cl12 Single Crystals and Nanocrystals

Zhou Wei,Han Peigeng,Luo Cheng,Li Cheng,Hou Jie,Yu Yang,Lu Ruifeng

Lead free double perovskites (DPs) are promising materials due to their non-toxic and tunable optical properties. In this work, a series of lead-free halide DP single crystals (SCs) and nanocrystals (NCs) (Cs4Cu1-xAg2xSb2Cl12) were reported. With alloying strategy, the optical band-gap engineering was realized and the dimension can be controlled between 2D and 3D. The Cu-alloyed SCs exhibit strong absorption from the UV-visible region to the near-infrared range (can even completely cover the bands of NIR-I and NIR-II). In addition, (Cs4Cu1-xAg2xSb2Cl12) NCs were synthesized via a top-down approach, which maintains similar optical properties and the dimensional transformation phenomenon to SCs. These results suggest the great potential of Cs4Cu1-xAg2xSb2Cl12 SCs and NCs for photovoltaic and optoelectronic applications.

CAS / MDL: 7647-17-8 110-54-3
研究领域: 材料科学 · 光子学 · 纳米技术 · 固体物理
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2022 · IF 24.319

Borate narrowed band gap of nickel-iron layer double hydroxide to mediate rapid reconstruction kinetics for water oxidation

Hanxiao Liao,Ganghai Ni,Pengfei Tan,Yong Liu,Kejun Chen,Gongming Wang,Min Liu,Jun Pan

Nickel-iron layer double hydroxide (NiFe LDH) is deemed as an attractive pre-catalyst to lower the reaction barrier of oxygen evolution reaction (OER). However, the catalytic efficiency of NiFe LDH is always hampered by the slow and incomplete reconstruction during OER process. Herein, a strategy of borate ion (BO 3 3- ) regulation is developed to achieve a fast and adequate reconstruction of NiFe LDH. The BO 3 3- is easy to fill the oxygen vacancy in NiFe LDH, which can narrow the band gap of NiFe LDH to realize an efficient reconstruction under OER conditions. DFT calculations demonstrate the enhanced effect of BO 3 3 - on adsorption of hydroxyl ion (OH - ) to further improve the OER activity. Sequentially, the BO 3 3- decorated NiFe LDH (NiFeB) shows a desirable catalytic activity for OER with an ultralow overpotential of 201 mV to reach a current density of 10 mA cm −2 , which is 40 mV lower than the overpotential of pure NiFe LDH. Moreover, membrane electrode assembly cell using anodic NiFeB and cathodic Pt/C for water splitting affords a cell voltage of only 2.0 V to drive a current density of 540 mA cm −2 . This work widens the horizon of ion effect on electrocatalysis and offers an effective approach for developing high-active electrocatalysts.

CAS / MDL: 12036-10-1
研究领域: 材料科学 · 电化学
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DALTON TRANSACTIONS · 2022 ·Vol. 51 ·期 39 ·15067-15073 · IF 4.569

Wide band gap thiophosphates ASrPS4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation

Yi Huang,Junben Huang,Yong Zhang

Metal thiophosphates have aroused much research interest due to their structural chemistry and possible applications as infrared functional materials. In this study, five quaternary Sr-based alkali metal thiophosphates ASrPS4 (A = Li, Na, K, Rb, Cs) were obtained. Their structural comparison shows that their symmetry undergoes transformation from tetragonal (I41/acd) to monoclinic (P21/c) to orthorhombic (Pnma) system, which is induced by the cation size effects and coordination features of different alkali metal cations. The experimental and theoretical results demonstrate that the band gaps of all title compounds are large, namely 3.6–3.9 eV (experimental results) and 3.78–4.12 eV (HSE06). Theoretical analyses indicate that the [PS4] group could be regarded as a good unit for designing wide band gap compounds, and the birefringence of NaSrPS4 is 0.08 at the fundemental 1064 nm wavelength, which shows that it may be a potential infrared birefringent material.

研究领域: 材料化学 · 光学材料
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MICROCHIMICA ACTA · 2023 ·Vol. 190 ·期 5 ·1-10 · IF 5.7

Cucurbit[8]uril-mediated SERS plasmonic nanostructures with sub-nanometer gap for the identification and determination of estrogens

Teng Yuanjie,Li Xin,Chen Yingxin,Xu Pei,Pan Zaifa,Shao Kang,Sun Nan

The SERS intensity of analytes is primarily influenced by the density and distribution of hotspots, which are often difficult to manipulate or regulate. In this study, cucurbit[8]uril (CB[8]), a kind of rigid macrocyclic molecule, was introduced to achieve ~ 1-nm nanogap between gold nanoparticles to increase the density of SERS hotspots. Three kinds of estrogens (estrone (E1), bisphenol A (BPA), and hexestrol (DES)) which are molecules with weak SERS signals were targeted in the hotspots by CB[8] to further improve the sensitivity and selectivity of SERS. It was demonstrated that CB[8] can link gold nanoparticles together through carbonyl groups. In addition, the host–guest interaction of CB[8] and estrogens was proved from the nuclear magnetic resonance hydrogen and infrared spectra. In the presence of CB[8], the SERS intensities of E1, BPA, and DES were increased to 19-fold, 74-fold, and 4-fold, respectively, and the LOD is 3.75 µM, 1.19 µM, and 8.26 µM, respectively. Furthermore, the proposed SERS method was applied to actual milk sample analysis with recoveries of E1 (85.0 ~ 112.8%), BPA (83.0 ~ 103.7%), and DES (62.6 ~ 132.0%). It is expected that the proposed signal enlarging strategy can be applied to  other analytes after further development. Graphical Abstract

研究领域: 分析化学 · 环境科学 · 生物医学
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