RSC Advances
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2017
·Vol. 7
·期 36
·22485-22491
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IF 3.108
Hailiang Zhao,Shanshan Tang,Qun Zhang,Lin Du
The weak intermolecular interaction between 2,2,2-trifluoroethanol (TFE) and 3-chloro-2-methyl-1-propene (CMP) has been investigated by gas phase FTIR spectroscopy and DFT calculations. CMP offers two hydrogen bond docking sites to the hydrogen bond donor: the chlorine atom (O–H⋯Cl) and the CC π electron system (O–H⋯π). DFT calculations suggest that MeOH approaches CMP in five different orientations. The structural, energetic, and spectroscopic parameters of the most stable structures in each orientation were studied, and their binding energies range from −25.5 to −19.5 kJ mol−1. The docking to the π system is at least 1 kJ mol−1 more favored than the docking to the chlorine atom. The equilibrium constant for complexation (2.3 × 10−2) was determined from the experimental and calculated intensity of the OH-stretching transition. The Gibbs free energy of formation was found to be 9.3 kJ mol−1. The nature of the non-covalent interaction was analyzed with the atoms in molecules (AIM) method.
研究领域:
物理化学
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结构化学
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分子光谱学
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量子化学计算
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分子间相互作用
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Chalcogenide Letters
·
2026
·Vol. 23
·期 1
·
IF 1.6
Dehui Li,Yiming Guo,Tao He,Binbin Zhang,Haixia Yu,Lingkun Meng
Quinary Cu 3 FeInSnS 6 (CFITS) nanoplates were synthesized through a synergistic dual-cation substitution strategy using a hot-injection method, where oleylamine and 1-dodecanethiol served as coordinating ligands to guide two-dimensional growth. The nanocrystals were characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and absorption spectroscopy. Structural analysis confirms that the CFITS nanoplates crystallize in a phase-pure cubic zinc-blende structure (space group F -43 m) without detectable secondary phases. Optical measurements reveal that the nanoplates exhibit broad and intense visible-light absorption with a direct bandgap of 1.51 ± 0.03 eV, suitable for photovoltaic applications. Under standard AM 1.5 G illumination, the CFITS film shows a clear photoresponse with a light-to-dark current ratio (I light /I dark ) of 2.46, surpassing several related copper-based chalcogenides. This enhancement is attributed to the synergistic substitution of Fe 2+ and In 3+ , which is proposed to effectively suppress antisite defects and improve charge transport. Furthermore, the two-dimensional geometry endows the nanoplates with a unique electronic structure that mitigates carrier recombination and facilitates interfacial charge extraction. The solution-processable CFITS nanoplate films demonstrate good atmospheric stability, maintaining performance over 24 h. This work not only expands the family of multinary copper chalcogenides but also provides a feasible strategy for designing efficient, low-cost, and earth-abundant absorber materials for next-generation thin-film solar cells.
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CHEMISTRY LETTERS
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2016
·Vol. 45
·期 9
·1051-1053
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IF 1.55
Wang Luanjiao,Rao Pinhua,Yao Wei,Zhang Wenqi
CuSn-codoped CdS (CdS:CuSn) quantum dots (QDs) with different Cu(I) and Sn(IV) doping levels have been successfully synthesized by a simple one-pot procedure. It was found that the doping ratio of Cu(I) and Sn(IV) in CdS QDs significantly affected the photoluminescence (PL) quantum yields (QYs), Stokes shifts, and emission window of as-prepared QDs. Compared to single Cu doping, CuSn codoping further significantly improved the PL QYs of as-prepared QDs (up to 24.6%). The CdS:CuSn QDs may be used as potential emitters in the PL industry.
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CHEMISTRY LETTERS
·
2015
·Vol. 44
·期 6
·743-745
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IF 1.23
Guan Dinghui,Han Lu,Wang Lulu,Song He,Chu Wenyi,Sun Zhizhong
The efficient, simple, and environment-friendly route of direct cyanation of picolinamides has been developed with nontoxic K4[Fe(CN)6] as the cyanide source through Pd-catalyzed C–H bond activation. A series of N-(naphthalene-1-yl)picolinamide derivatives were successfully transformed to the corresponding cyanation products. The cyanation mechanism has also been speculated.
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CHEMISTRY LETTERS
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2014
·Vol. 43
·期 11
·1743-1745
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IF 1.3
Chai Mei-juan,Chen Xiang-min,Zhao Ye,Liu Rui-hong,Zhao Jun,Li Fa-tang
A facile synthesis route of pure FeAl2O4 via self-combustion of ionic liquid is developed using (C2H5)2NH·HCl and urea as cofuels. (C2H5)2NH·HCl not only is the source of cation in ionic liquid but also serves as fuel. The products possess pure hercynite phase, mesoporous structure, and large specific surface areas (89–185 m2 g−1). The visible-light photocatalytic activity of FeAl2O4 is also reported for the first time.
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高影响因子
CHEMISTRY LETTERS
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2015
·Vol. 44
·期 10
·1422-1424
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IF 1.23
Cao Renping,Luo Wenjie,Xiong Qingqiang,Jiang Shenhua,Luo Zhiyang,Fu Jingwei
Novel deep red phosphor Ba2GeO4:Mn4+ is synthesized and investigated. Emission peaking at 667 nm with excitation 290 nm is observed within the range 610–720 nm due to the 2E → 4A2 transition of Mn4+ ion. The optimal Mn4+ concentration is ca. 0.6 mol %. Luminous mechanism is explained by Tanabe–Sugano energy diagram and configurational coordinate diagram of Mn4+ ion. Ba2GeO4:Mn4+ phosphor can be used as deep red phosphor candidate for red LEDs used in indoor plant cultivation.
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CHEMISTRY LETTERS
·
2016
·Vol. 45
·期 7
·732-734
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IF 1.55
Liu Xinyue,Dai Changqing,Wu Dengfeng,Fisher Adrian,Liu Zhiping,Cheng Daojian
PdAg bimetallic and PdAgCo trimetallic nanoparticles (NPs) are synthesized by a one-pot method in an organic solvent medium. Our results show that the catalytic activity of PdAgCo/C (1133.249 mA mgPd−1) for formic acid oxidation (FAO) is ca. 2.4 times larger than commercial Pd/C (483.563 mA mgPd−1) and 1.7 times larger than PdAg/C (680.741 mA mgPd−1). This study indicates that Co doping in PdAg bimetallic NPs can significantly improve its FAO activity. It is expected that the as-synthesized PdAgCo trimetallic NPs could be used as high-performance catalysts for direct formic acid fuel cells (DFAFCs).
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CHEMISTRY LETTERS
·
2019
·Vol. 48
·期 8
·795-798
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IF 1.485
Gan Lu,Xu Cigang,Yang Jiangrong,Ma Yunfeng,Cai Jinguang,Watanabe Akira
This study reports an effective process to prepare holey carbon nanotubes (hCNTs) through a catalytic oxidation reaction under the assistance of Ag nanoparticles. The improved specific surface area and oxygenic functional groups generated during the perforating process endowed hCNTs with highly improved capacitance. Besides, micro-supercapacitors based on hCNTs delivered a specific capacitance of 59.2 mF/cm2 at 0.3 mA/cm2, more than twice that of the 23.8 mF/cm2 for MWCNTs, which is among the best values compared to results reported in the literature.
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高影响因子
CHEMISTRY LETTERS
·
2015
·Vol. 44
·期 4
·471-473
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IF 1.23
Sun Jiadi,Meng Long,Zhu Ye,Cui Yan,Liu Xiaoya
Herein, gels composed of nanoscaled particles were obtained via one-step self-assembly of poly(γ-glutamic acid) (γ-PGA) and folic acid (FA). The outcomes show that the amount of added FA plays a crucial role in the liquid–gel transition. The resulting gels revealed an increase in both storage modulus (G′) and loss modulus (G′′) with increasing amount of FA. This paper describes an effective and promising strategy to prepare gels based on self-assembly of copolymers or particles in an organic medium.
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CHEMISTRY LETTERS
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2021
·Vol. 50
·期 5
·996-998
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IF 1.389
Wang Yunju,Huang Yuhao,Wang Hongyu
Electrolyte solutions of lithium tetrafluoroborate dissolved in sulfolane are applied in dual-ion batteries. A graphite positive electrode in this kind of solutions delivers a reversible anion storage capacity over 80 mAh g−1 at potentials over 4.5 V vs. Li/Li+. The structures of anion-graphite intercalation compounds are investigated in detail by the combination of in situ X-ray diffraction (XRD) and in situ Raman spectroscopic measurements.
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CHEMISTRY LETTERS
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2020
·Vol. 50
·期 3
·452-455
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IF 1.361
Han Zhao,Xia Tong,Xu Shiwei,Li Gang,Zhang Liying,Hu Nantao,Yu Jian,Li Bin,Yang Zhi,Zhang Yafei
Wearable energy storage electronics with high safety and long life have been promising candidates in recent years. Herein, all-solid-state planar micro-supercapacitors (MSCs) were demonstrated by inkjet printing of molybdenum disulfide (MoS2) electrodes. The preprinted PEDOT: PSS film on PI (Polyimide) substrate prepared with a simple and low-cost desktop inkjet printer can greatly improve the electrode conductivity. Additionally, the obtained planar MSCs show good electrochemical performance with high areal capacitance of 323 µF cm−2 and areal energy density of 0.016 µWh cm−2. More importantly, the MSCs exhibit outstanding flexibility with almost no degradation under various bending angles. The capacitance retention can still be maintained at 88.5% even after 8000 cycles, indicating good cycle stability of MSCs. The in-plane flexible MSCs hold great application potential for wearable and integrated energy storage electronics.
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高影响因子
CHEMISTRY LETTERS
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2020
·Vol. 49
·期 11
·1421-1425
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IF 1.361
Wang Shaohua,Zhang Hanying,Li Hao,Wu Ruijie,Hua Zhongqiu,Wu Yi,Tian Xuemin
WO3 nanosheets were synthesized by an acidification method and Cr was loaded on the surface of nanosheets via an impregnation procedure. The morphologies of pristine and Cr-loaded WO3 nanosheets were analyzed. Gas sensors based on pristine and Cr-loaded WO3 nanosheets were fabricated by a screen-printing technique and their sensing properties were also investigated. It was found that the catalytic modification of Cr can significantly improve the sensing performance of WO3 nanosheets to ammonia. In addition, the sensitization mechanism of Cr-loaded WO3 could be caused by the electrical sensitization effect and more stable product in the sensing processes to ammonia.
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