Nano Research
·
2022
·Vol. 16
·期 4
·5894-5899
·
IF 10.269
Liu Xiaoting,Yang Jiapeng,Chen Wenya,Yang Fan,Chen Yihuang,Liang Xiaojuan,Pan Shuang,Xiang Weidong
High efficient lead halide perovskites with wide-color gamut properties have emerged as new candidates for backlight displays. However, the toxicity of lead and the instability of halide perovskites greatly limit their practical applications. Herein, the luminescent powders of [(CH 3 ) 4 N] 2 MnBr 4 and [(CH 3 ) 4 N]MnBr 3 were synthesized via a simple yet robust solvent evaporation method. [(CH 3 ) 4 N] 2 MnBr 4 with tetrahedral coordination Mn 2+ and [(CH 3 ) 4 N]MnBr 3 with octahedral coordination Mn 2+ show green at 517 nm and red emission peaks at 620 nm, respectively, originating from the 4 T 1 - 6 A 1 transition of Mn 2+ . To enhance optical of manganese halide via effective alloying, Zn 2+ -doped [(CH 3 ) 4 N] 2 MnBr 4 was successfully prepared, and the quantum efficiency of [(CH 3 ) 4 N] 2 Mn 0.6 Zn 0.4 Br 4 was as high as 65%. Furthermore, [(CH 3 ) 4 N] 2 Mn 0.6 Zn 0.4 Br 4 exhibits better optical and thermal stability compared to [(CH 3 ) 4 N] 2 MnBr 4 . [(CH 3 ) 4 N] 2 Mn 0.6 Zn 0.4 Br 4 @CsPbBr 1.2 I 1.8 light conversion films with different green-to-red ratios are placed in backlight display devices, and their color gamut exceeds 106% of the National Television Standards Committee (NTSC) 1953 standard, which is superior to the currently reported Mn-based perovskite. This work broadly shows that the [(CH 3 ) 4 N] 2 Mn 0.6 Zn 0.4 Br 4 will provide effective route to fabricate stable and high-performance lead-free liquid crystal displays.
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高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2024
·
IF 4
Tianyang Hou,Yuangang Xu,Ze Xu,Xiaopeng Zhang,Ming Lu
The formation of non-metallic pentazolate salts from the combination of simple nitrogen-rich cations with cyclo -N 5 − is expected to be applied in propellants and explosives. In this work, a series of structurally similar cations ([NH 3 CH 3 ] + , [NH 2 (CH 3 ) 2 ] + , [NH(CH 3 ) 3 ] + , and [N(CH 3 ) 4 ] + ) were used to synthesize four cyclo -N 5 − containing energetic salts, and the contribution of crystal stacking mode, hydrogen bonding, C–H··· π and π -stacking interactions in the stabilization of cyclo -N 5 − salts has been investigated by geometrical and Hirshfeld surface analyses as well as theoretical calculations. All salts have been thoroughly characterized by single-crystal X-ray diffraction, infrared (IR), multinuclear NMR ( 1 H and 13 C) spectroscopy, and elemental analysis. The decomposition temperatures of all salts are higher than 75 °C, as measured by thermogravimetric (TG). These compounds all show low sensitivities (IS ≥ 35 J, FS > 360 N) measured by standard BAM methods. Their heats of formation and detonation performances were calculated using the Born–Haber energy cycle and K-J method (“Pilem” program), respectively. This study has great significance for future design and synthesis of cyclo -N 5 − containing energetic materials.
研究领域:
化学
·
材料科学
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高影响因子
Journal of Physical Chemistry C
·
2017
·
IF 4.536
Jinsong Chai,Ying Lv,Sha Yang,Yongbo Song,Xiaofeng Zan,Qinzhen Li,Haizhu Yu,Mingzai Wu,Manzhou Zhu
In this work, we report the synthesis and crystal structure of Au38–xCux(2,4-DMBT)24 (x = 0–6, 2,4-DMBTH = 2,4-dimethylbenzenethiol) alloy nanocluster for the first time. A variety of characterizations including ESI-MS, TGA, and XPS reveal the composition as Au38–xCux(2,4-DMBT)24 (x = 0–6). The single crystal structure has been determined by an X-ray single crystal diffractometer. From the anatomy of the structure, a bi-icosahedral Au23 core is protected by six dimeric [−SR–M–SR–M–SR−] units (M = Cu/Au) and three monomeric [−SR–Au–SR−] units. It is interesting that all the Cu atoms are selectively doped in the motifs of the Au38–xCux(2,4-DMBT)24 nanocluster. This phenomenon is distinct from the exclusive core doping of the Ag atoms in the previously reported Au38–xAgx alloy. Both the experimental results and DFT calculations of UV–vis spectra imply that the optical property of the Au38–xCux(2,4-DMBT)24 nanocluster is consistent with that of the Au38(2,4-DMBT)24 nanocluster, because the Cu dopants make little contribution to the frontier orbitals of the alloy NC.
研究领域:
材料科学
·
化学
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高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
·
2023
·
IF 5.2
Jiaojiao Cao,Chengbin Guo,Zhenyu Chen
A series of MOF-5 @BTA-X (X = -CH 3 /-NH 2 /-CO(CH 2 ) 6 CH 3 ) anticorrosion composites was fabricated through loading benzotriazole derivatives in a metal–organic framework (i.e., MOF-5). Their crystal structures and morphologies were characterized by single-crystal X-ray diffraction analysis, Fourier transform infrared spectroscopy , and transmission electron microscopy . The loading–releasing mechanisms between MOF-5 and BTA derivatives were revealed by experiments and theoretical calculations. Their anticorrosion performance for copper was also evaluated by electrochemical impedance spectroscopy and potentiodynamic polarization in 0.5 M NaCl. The corrosion product was analyzed via scanning electron microscopy and X-ray photoelectron spectroscopy. The results indicated that the loading capacities followed the order of MOF-5 @BTA-NH 2 > MOF-5 @BTA-CH 3 > MOF-5 @BTA-CO(CH 2 ) 6 CH 3 . The release rates followed the order of MOF-5 @BTA-NH 2 < MOF-5 @BTA-CH 3 < MOF-5 @BTA-CO(CH 2 ) 6 CH 3 . Furthermore, the results of theoretical calculations indicated that the differences in loading capacities depended on the polarity of the functional group. Meanwhile, the strong binding force decreased the release rate.
研究领域:
材料科学
·
腐蚀防护
·
纳米复合材料
·
理论化学
·
电化学
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高影响因子
Journal of Materials Chemistry A
·
2021
·Vol. 9
·期 24
·13996-14003
·
IF 12.732
Hongqiang Jin,Yu Yu,Qikai Shen,Peipei Li,Jia Yu,Weiming Chen,Xin Wang,Zhuo Kang,Lei Zhu,Runqing Zhao,Lirong Zheng,Weiguo Song,Changyan Cao
1T-phase molybdenum disulphide (MoS2) is considered to be one of the most promising candidates to substitute noble metals in the hydrogen evolution reaction (HER). Fabricating single layer 1T-phase MoS2 with abundant sulfur vacancies as well as good stability to further enhance catalytic performance remains a challenge. Herein, we develop an efficient in situ TMA cation ((CH3)4N+) intercalation method to produce 1T-phase MoS2. The obtained MoS2 nanosheets comprise about 81% 1T-phase and abundant sulfur vacancies (>12%), as verified by aberration-corrected high-angle annular dark field scanning transmission electron microscopy (AC-HAADF-STEM), X-ray photoelectron spectroscopy (XPS), X-ray absorption fine structure (XAFS), etc. In addition, the surface of as-prepared ST-MoS2 is negatively charged, making it very stable in aqueous solution. The as-prepared ST-MoS2 exhibits excellent electrochemical HER performance with a low over-potential and a small Tafel slope as well as superior cycling stability. Furthermore, it is an excellent co-catalyst when coupled with CdS nanowires to form a CdS/ST-MoS2 heterojunction photocatalyst for the HER under visible light irradiation. It achieves a maximum H2 production rate and apparent quantum efficiency (AQE) of approximately 1187 μmol mg−1 h−1 and 73.4%, respectively, which are significantly higher than those of reported CdS/MoS2 photocatalysts.
研究领域:
材料科学
·
纳米技术
·
电化学
·
催化
·
能量转换
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高影响因子
MICROPOROUS AND MESOPOROUS MATERIALS
·
2019
·
IF 4.182
Weina Shi,Yanqing Zhu,Cong Shen,Jifu Shi,Gang Xu,Xiudi Xiao,Runqiang Cao
Thermochemical heat storage based on inorganic salt hydrates is a promising approach to relieve the heat energy supply and demand conflicts, but there exist lots of defects of pure salts when applied to the thermochemical. This paper attempted to use functionalized Metal-Organic Frameworks (MOFs) as the porous matrices to improve the heat storage performance of inorganic salt hydrates. A series of MOFs/CaCl 2 composites based on MIL-101(Cr)-X (X = -NH 2 , –SO 3 H, H, –CH 3 , –F) were successfully synthesized and fully characterized by combining multiple techniques (i.e. powder X-ray diffraction, scanning electron microscopy , energy-dispersive X-ray analysis, N 2 adsorption-desorption, Fourier transform infrared spectroscopy , thermogravimetric and differential scanning calorimetry). The water sorption properties of the series of MOFs/CaCl 2 composites were studied during the hydration process, and a continuous adsorption/desorption experiment was also performed to investigate the cycle stability of the MOFs/CaCl 2 composites. The results show that the hydrophilic MOFs based composites have higher water sorption capacity (0.6 g(H 2 O)/g(sample) for MIL-101(Cr)–SO 3 H/CaCl 2 ) accompanied with higher heat storage density (1274 J/g for MIL-101(Cr)–SO 3 H/CaCl 2 ). Moreover, the series of MOFs all presented excellent cycle performance with little loss after continuous 17 adsorption/desorption cycles.
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高影响因子
OPTICS LETTERS
·
2025
·Vol. 50
·期 23
·7275-7278
·
IF 3.3
Shiqi Liu,Haixin Wang,Wenhui Fang,Aijun Li,Aijun Li,Zhiwei Men,Zhiwei Men
© 2025 Optica Publishing Group. All rights, including
for text and data mining (TDM), Artificial Intelligence (AI) training,
and similar technologies, are reserved.
研究领域:
光谱学
·
物理化学
·
分子动力学
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氢键
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振动光谱
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DOI
PubMed
高影响因子
FUEL
·
2022
·
IF 8.035
Xin Zhang,Yiming Zhao,Wenjuan Li,Yun Zhang,Siyu Xu,Sen Xu,Wen Zhou,Yizheng Fu,Yongan Feng,Weiguo Cao
Higher fatty alcohols play a vital position in modern industry, while the dust explosion hazard cannot be ignored. Three kinds of linear monohydric alcohols CH 3 (CH 2 ) n-1 OH (n = 16, 18, 22) were selected to explore the combustion characteristics through ignition tests and molecular dynamics simulations. The experiment consequences indicated that the flame propagation height of alcohols dust gradually aggrandized as the enlargement of dust concentration of 30–750 g/m 3 and the flame propagation velocity presented two peaks. CH 3 (CH 2 ) 15 OH had the highest flame propagation height and velocity, followed by CH 3 (CH 2 ) 17 OH and CH 3 (CH 2 ) 21 OH. The first flame propagation velocities of CH 3 (CH 2 ) 15 OH, CH 3 (CH 2 ) 17 OH, and CH 3 (CH 2 ) 21 OH reached the maximum value at 500 g/m 3 , which were 16.47, 13.25, and 12.53 m/s, respectively. The second peak reached the maximum value at 750 g/m 3 , which were 20.07, 19.05, and 18.23 m/s, respectively. The combustion reactions of alcohols revealed that the decomposition of molecules was first due to the breakage of the C C bond, and the main products were mainly C 2 H 4 , H 2 O, CH 2 O, CO, and CO 2 . The production and consumption reaction processes of C 2 H 4 , CH 2 O, and other combustible gas products reasonably explained the flame continuous process and the variation of flame propagation. The TG test results indicated that the volatility and thermal conductivity of CH 3 (CH 2 ) 15 OH, CH 3 (CH 2 ) 17 OH, and CH 3 (CH 2 ) 21 OH decreased sequentially, which confirmed the flame propagation and molecular dynamics combustion reactions of the three alcohols. The volatility of alcohols was the key factor determining the difference in the flame propagation behavior of alcohols dust.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2022
·
IF 4.326
Yuxin Wu,Zhuo Chen,Yundong Wang,Jianhong Xu
The olefin epoxidation reaction is of great interest in recent years since epoxide is considered an important intermediate for a wide application range. H2O2-based catalytic epoxidation possesses the advantages of being cheap, green, and safe, which are quite advantageous in chemical technology. A phase-transfer catalyst, especially the phosphotungstate catalyst, has been applied in the epoxidation reaction with a high reaction rate and moderate reaction conditions. In this work, a phase-transfer catalyst, [(C18H37)2(CH3)2N]7[PW11O39], has been synthesized, and it showed high catalytic efficiency in styrene epoxidation. The influence of reaction time, temperature, oxidant concentration and amount, catalyst amount, and substrate concentration on the reaction performance was studied. A styrene conversion of 90.1% and selectivity of 90.6% could be achieved at 85 °C for 1 h with 3 equiv of H2O2 and 1.5 mol % catalyst. More importantly, kinetic models for the reaction network have been studied to optimize the reaction conditions and limit the side reactions.
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高影响因子
DALTON TRANSACTIONS
·
2014
·Vol. 43
·期 24
·9216-9225
·
IF 4.097
Qiong Wu,Tianfeng Chen,Zhao Zhang,Siyan Liao,Xiaohui Wu,Jian Wu,Wenjie Mei,Yanhua Chen,Weili Wu,Lingli Zeng,Wenjie Zheng
Two arene Ru(II) complexes coordinated by 2-(3-methoxyphenyl)imidazole[4,5-f][1,10]phenanthroline, [(η6-RC6H5)Ru(m-MOPIP)Cl]Cl (R = H, 1; R = CH3, 2), have been prepared under microwave irradiation; the crystal structure of 2 exhibits a typical “piano stool” conformation, with bond angles for N1–Ru1–Cl1 86.02 (14)° and N2–Ru1–Cl1 84.51 (14)°. The Ru–C distance for the Ru atom bound to the benzene ring is about 0.2178(8) nm, and the average Ru–N distance for Ru atom to the two chelating N atoms is about 0.2092(4) nm. The evaluation of in vitro anticancer activities revealed that these synthetic Ru(II) complexes selectively inhibited the growth of HepG2 hepatocellular carcinoma cells, with low cytotoxicity toward LO2 human normal liver cells. The results demonstrated that the complexes exhibited great selectivity between human cancer and normal cells by comparing with the ligand m-MOPIP. Furthermore, complexes 1 and 2 could bind to c-myc G4 DNA in groove binding mode in promising affinity, and the insertion of the methyl groups in the arene ligand contributed to strengthen the binding affinity. This was also confirmed by molecular docking calculation and 1H NMR analysis which showed that both 1 and 2 can bind in the loop constructed by A6–G9 and G21–A25 base pairs in c-myc G4 DNA to block the replication of c-myc oligomer. Taken together, these results suggest that arene Ru(II) complexes display application potential as small molecule inhibitors of c-myc G4 DNA.
研究领域:
无机化学
·
药物化学
·
癌症研究
·
DNA相互作用
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DOI
PubMed
高影响因子
APPLIED CATALYSIS A-GENERAL
·
2011
·
IF 3.384
Hua Yang,Jia-Qi Chen,Jun Li,Ying Lv,Shuang Gao
Hydroxylation of benzene to phenol in the [(CH 3 ) 4 N] 4 PMo 11 VO 40 /ascorbic acid/TEMPO/O 2 catalytic system was carefully investigated. UV–vis, ESR and 1 H NMR studies showed ascorbic acid radicals were formed through the hydrogen exchange of ascorbic acid with TEMPO (2,2,6,6-tetramethyl-1-piperidine-N-oxyl radicals) during the reaction. In acetonitrile, the ascorbic acid would be partly oxidized to 2-hydroxy-2-buten-4-olide (α-tetronic acid, isotetronic acid, compound 1 ) without TEMPO. The interaction of TEMPO and ascorbic acid restrained the oxidative dissociation of ascorbic acid and promoted the rate of the hydroxylation. Aqueous acetic acid solvent can also restrain the oxidative dissociation of ascorbic acid. In aqueous acetic acid, the yield of phenol could reach 18.9% in the [(CH 3 ) 4 N] 4 PMo 11 VO 40 /ascorbic acid/TEMPO/O 2 catalytic system with sufficient ascorbic acid after 400 min.
研究领域:
催化化学
·
有机化学
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高影响因子
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH
·
2017
·
IF 4.521
Jing Zhang,Li Li,Yueting Peng,Yu Chen,Xiaoying Lv,Shun Li,Xiang Qin,Hong Yang,Chunhui Wu,Yiyao Liu
Tumor cell can be significantly influenced by various chemical groups of the extracellular matrix proteins. However, the underlying molecular mechanisms involved in the interaction between cancer cells and functional groups in the extracellular matrix remain unknown. Using chemically modified surfaces with biological functional groups (CH 3 , NH 2 , OH), it was found that hydrophobic surfaces modified with CH 3 and NH 2 suppressed cell proliferation and induced the number of apoptotic cells. Mitochondrial dysfunction, cytochrome c release, Bax upregulation, cleaved caspase-3 and PARP, and Bcl-2 downregulation indicated that hydrophobic surfaces with CH 3 and NH 2 triggered the activation of intrinsic apoptotic signaling pathway. Cells on the CH 3 - and NH 2 -modified hydrophobic surfaces showed downregulated expression and activation of integrin β1, with a subsequent decrease of focal adhesion kinase (FAK) activity. The RhoA/ROCK/PTEN signaling was then activated to inhibit the phosphorylation of PI3K and AKT, which are essential for cell proliferation. However, pretreatment of MDA-MB-231 cells with SF1670, a PTEN inhibitor, abolished the hydrophobic surface-induced activation of the intrinsic pathway. Taken together, the present results indicate that CH 3 - and NH 2 -modified hydrophobic surfaces induce mitochondria-mediated apoptosis by suppressing the PTEN/PI3K/AKT pathway, but not OH surfaces. These findings are helpful to understand the interaction between extracellular matrix and cancer cells, which might provide new insights into the mechanism potential intervention strategies for tumor prognosis.
研究领域:
癌症生物学
·
细胞生物学
·
分子生物学
·
生物化学
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）