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51.
Jingru Zhai Zhengyu Lei Prof. Kening Sun 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(32):7733-7739
To address the problems associated with poor conductivity and large volume variation in practical applications as a conversion cathode, engineering of hierarchical nanostructured FeOF coupled with conductive decoration is highly desired, yet rarely reported. Herein, 3D starfish-like FeOF on reduced graphene oxide sheets (FeOF/rGO) is successfully prepared, for the first time, through a combination of solvothermal reaction, self-assembly, and thermal reduction. Integrating the structural features of the 3D hierarchical nanostructure, which favorably shorten the path for electron/ion transport and alleviate volumetric changes, with those of graphene wrapping, which can further enhance the electrical conductivity and maintain the structural stability of the electrode, the as-prepared FeOF/rGO composite exhibits a superior lithium-storage performance, including a high reversible capacity (424.5 mA h−1 g−1 at 50 mA g−1), excellent stability (0.016 % capacity decay per cycle during 180 cycles), and remarkable rate capability (275.8 mA h−1 g−1 at 2000 mA g−1). 相似文献
52.
Han Jing Sun Youhong Guo Wei Deng Sunhua Hou Chuanbin Qu Lili Li Qiang 《Journal of Thermal Analysis and Calorimetry》2019,135(4):2287-2296
Journal of Thermal Analysis and Calorimetry - In this study, the non-isothermal pyrolysis method was used to investigate the pyrolysis characteristics of oil shale from four areas: namely Nongan,... 相似文献
53.
54.
Marwa Chaabene Soumaya Agren Abdul‐Rahman Allouche Mohamed Lahcinie Rafik Ben Chabane Mohamed Hassen V. Baouab 《应用有机金属化学》2019,33(11)
The novel compounds (E)‐2‐(((4‐hydroxyphenyl)imino)methyl)phenol, Tetraphenyl (hydroxyl) imidazole and their corresponding Boron difluoride complexes were synthesized and characterized by spectroscopic techniques. Density functional theory calculations at B3LYP‐D3/6–311++G (d, p) level of theory were performed for the geometric parameters. The MEP surface studies were used to understand the behavior of molecules in terms of charge transfer and to determine how these molecules interact. We used the GIAO and the B3LYP‐D3 with a 6–311++ G (d, p) basis set to simulate the (1H‐NMR and 19F‐NMR) and the IR spectra, respectively. The corresponding calculated results are in good agreement with the experimental data. The stability of the molecule arising from hyperconjugation interaction and charge delocalization were analyzed using NBO analysis. FMOs revealed the occurrence of charge transfer within the molecule. The complexation using BF3.Et2O was also found to have remarkable effects on the electrochemical properties of the studied molecules, where (b) and (d) present lower chemical stability, higher reactivity and higher polarizability than (a) and (c), respectively. Moreover, the energy gap of (a) and (c) decreased after complexation using BF3.Et2O, indicating the reliability of the electrochemical evaluation of LUMO and HOMO energy levels. These values are the factors explaining the possible charge transfer interaction within the molecule. The absorption and emission spectra of the model compound were also simulated and compared to experimental observations in the DMF solvent. The results of DFT calculations supported the structural and spectroscopic data and confirmed the structure modification of frontier molecular orbitals for BF2 complexes as well as tunable potentials and energy levels. 相似文献
55.
Maribel Rodríguez‐Aguilar Sofía Ramírez‐García Cesar Ilizaliturri‐Hernndez Alejandro Gmez‐Gmez Evelyn Van‐Brussel Fernando Díaz‐Barriga Susanna Medellín‐Garibay Rogelio Flores‐Ramírez 《Biomedical chromatography : BMC》2019,33(12)
An analytical method to identify volatile organic compounds (VOCs) in the exhaled breath from patients with a diagnosis of chronic obstructive pulmonary disease (COPD) using a ultrafast gas chromatography system equipped with an electronic nose detector (FGC eNose) has been developed. A prospective study was performed in 23 COPD patients and 33 healthy volunteers; exhalation breathing tests were performed with Tedlar bags. Each sample was analyzed by FCG eNose and the identification of VOCs was based on the Kovats index. Raw data were reduced by principal component analysis (PCA) and canonical discriminant analysis [canonical analysis of principal coordinates (CAP)]. The FCG eNose technology was able to identify 17 VOCs that distinguish COPD patients from healthy volunteers. At all stages of PCA and CAP the discrimination between groups was obvious. Chemical prints were correctly classified up to 82.2%, and were matched with 78.9% of the VOCs detected in the exhaled breath samples. Receiver operating characteristic curve analysis indicated the sensitivity and specificity to be 96% and 91%, respectively. This pilot study demonstrates that FGC eNose is a useful tool to identify VOCs as biomarkers in exhaled breath from COPD patients. Further studies should be performed to enhance the clinical relevance of this quick and ease methodology for COPD diagnosis. 相似文献
56.
Mengci He Prof. Hongyan Shi Peng Wang Prof. Xiudong Sun Prof. Bo Gao 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(70):16106-16113
Molybdenum carbide (Mo2C) is a promising noble-metal-free electrocatalyst for the hydrogen evolution reaction (HER), due to its structural and electronic merits, such as high conductivity, metallic band states and wide pH applicability. Here, a simple CVD process was developed for synthesis of a Mo2C on carbon cloth (Mo2C@CC) electrode with carbon cloth as carbon source and MoO3 as the Mo precursor. XRD, Raman, XPS and SEM results of Mo2C@CC with different amounts of MoO3 and growth temperatures suggested a two-step synthetic mechanism, and porous Mo2C nanostructures were obtained on carbon cloth with 50 mg MoO3 at 850 °C (Mo2C-850(50)). With the merits of unique porous nanostructures, a low overpotential of 72 mV at current density of 10 mA cm−2 and a small Tafel slope of 52.8 mV dec−1 was achieved for Mo2C-850(50) in 1.0 m KOH. The dual role of carbon cloth as electrode and carbon source resulted into intimate adhesion of Mo2C on carbon cloth, offering fast electron transfer at the interface. Cyclic voltammetry measurements for 5000 cycles revealed that Mo2C@CC had excellent electrochemical stability. This work provides a novel strategy for synthesizing Mo2C and other efficient carbide electrocatalysts for HER and other applications, such as supercapacitors and lithium-ion batteries. 相似文献
57.
Dr. Xiaoyan Sun Prof. Dr. Shaodong Zhou Dr. Lei Yue Dr. Maria Schlangen Prof. Dr. Helmut Schwarz 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(14):3550-3559
Thermal gas-phase reactions of the ruthenium-oxide clusters [RuOx]+ (x=1–3) with methane and dihydrogen have been explored by using FT-ICR mass spectrometry complemented by high-level quantum chemical calculations. For methane activation, as compared to the previously studied [RuO]+/CH4 couple, the higher oxidized Ru systems give rise to completely different product distributions. [RuO2]+ brings about the generations of [Ru,O,C,H2]+/H2O, [Ru,O,C]+/H2/H2O, and [Ru,O,H2]+/CH2O, whereas [RuO3]+ exhibits a higher selectivity and efficiency in producing formaldehyde and syngas (CO+H2). Regarding the reactions with H2, as compared to CH4, both [RuO]+ and [RuO2]+ react similarly inefficiently with oxygen-atom transfer being the main reaction channel; in contrast, [RuO3]+ is inert toward dihydrogen. Theoretical analysis reveals that the reduction of the metal center drives the overall oxidation of methane, whereas the back-bonding orbital interactions between the cluster ions and dihydrogen control the H−H bond activation. Furthermore, the reactivity patterns of [RuOx]+ (x=1–3) with CH4 and H2 have been compared with the previously reported results of Group 8 analogues [OsOx]+/CH4/H2 (x=1–3) and the [FeO]+/H2 system. The electronic origins for their distinctly different reaction behaviors have been addressed. 相似文献
58.
59.
Herein we summarized some clean preparation examples to emphasize the concept of dual roles design (or named as “two birds one stone strategy”) in green and sustainable chemistry. In those examples, the reactants and/or solvent play dual roles rendering a cleaner organic preparation process. Consequently, both the chemical waste and manufacturing cost could be reduced. 相似文献
60.
Zhu Hong Zeng Xiangbing Han Tianli Li Xuexue Zhu Shuguang Sun Bai Zhou Ping Liu Jinyun 《Journal of Solid State Electrochemistry》2019,23(7):2173-2180
Journal of Solid State Electrochemistry - Since conventional graphite-based anode possesses a low capacity, seeking for high-capacity anode candidates becomes significant for constructing emerging... 相似文献