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Design and mechanism insight on SiC quantum dots sensitized inverse opal TiO with superior photocatalytic activities under sunlight

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 1913-1924 doi: 10.1007/s11705-023-2350-8

摘要： The combination of SiC quantum dots sensitized inverse opal TiO2 photocatalyst is designed in this work and then applied in wastewater purification under simulated sunlight. From various spectroscopic techniques, it is found that electrons transfer directionally from SiC quantum dots to inverse opal TiO2, and the energy difference between their conduction/valence bands can reduce the recombination rate of photogenerated carriers and provide a pathway with low interfacial resistance for charge transfer inside the composite. As a result, a typical type-II mechanism is proved to dominate the photoinduced charge transfer process. Meanwhile, the composite achieves excellent photocatalytic performances (the highest apparent kinetic constant of 0.037 min–1), which is 6.2 times (0.006 min–1) and 2.1 times (0.018 min–1) of the bare inverse opal TiO2 and commercial P25 photocatalysts. Therefore, the stability and non-toxicity of SiC quantum dots sensitized inverse opal TiO2 composite enables it with great potential in practical photocatalytic applications.

关键词： inverse opal TiO2     silicon carbide quantum dots     quantum dot sensitized photocatalyst     type-II charge transfer route    

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Real-time immune-inspired optimum state-of-charge trajectory estimation using upcoming route information

Ahmad MOZAFFARI,Mahyar VAJEDI,Nasser L. AZAD

《机械工程前沿（英文）》 2015年 第10卷 第2期   页码 154-167 doi: 10.1007/s11465-015-0336-z

摘要：

The main proposition of the current investigation is to develop a computational intelligence-based framework which can be used for the real-time estimation of optimum battery state-of-charge (SOC) trajectory in plug-in hybrid electric vehicles (PHEVs). The estimated SOC trajectory can be then employed for an intelligent power management to significantly improve the fuel economy of the vehicle. The devised intelligent SOC trajectory builder takes advantage of the upcoming route information preview to achieve the lowest possible total cost of electricity and fossil fuel. To reduce the complexity of real-time optimization, the authors propose an immune system-based clustering approach which allows categorizing the route information into a predefined number of segments. The intelligent real-time optimizer is also inspired on the basis of interactions in biological immune systems, and is called artificial immune algorithm (AIA). The objective function of the optimizer is derived from a computationally efficient artificial neural network (ANN) which is trained by a database obtained from a high-fidelity model of the vehicle built in the Autonomie software. The simulation results demonstrate that the integration of immune inspired clustering tool, AIA and ANN, will result in a powerful framework which can generate a near global optimum SOC trajectory for the baseline vehicle, that is, the Toyota Prius PHEV. The outcomes of the current investigation prove that by taking advantage of intelligent approaches, it is possible to design a computationally efficient and powerful SOC trajectory builder for the intelligent power management of PHEVs.

关键词： trip information preview     intelligent transportation     state-of-charge trajectory builder     immune systems     artificial neural network    

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Interfacial charge transfer and photocatalytic activity in a reverse designed BiO/TiO core-shell

《能源前沿（英文）》 2021年 第15卷 第3期   页码 732-743 doi: 10.1007/s11708-021-0772-x

摘要： In this study, the electronic and photocatalytic properties of core-shell heterojunctions photocatalysts with reversible configuration of TiO2 and Bi2O3 layers were studied. The core-shell nanostructure, obtained by efficient control of the sol-gel polymerization and impregnation method of variable precursors of semiconductors, makes it possible to study selectively the role of the interfacial charge transfer in each configuration. The morphological, optical, and chemical composition of the core-shell nanostructures were characterized by high-resolution transmission electron microscopy, UV-visible spectroscopy and X-ray photoelectron spectroscopy. The results show the formation of homogenous TiO2 anatase and Bi2O3 layers with a thickness of around 10 and 8 nm, respectively. The interfacial charge carrier dynamic was tracked using time resolved microwave conductivity and transition photocurrent density. The charge transfer, their density, and lifetime were found to rely on the layout layers in the core-shell nanostructure. In optimal core-shell design, Bi2O3 collects holes from TiO2, leaving electrons free to react and increase by 5 times the photocatalytic efficiency toward H2 generation. This study provides new insight into the importance of the design and elaboration of optimal heterojunction based on the photocatalyst system to improve the photocatalytic activity.

关键词： photocatalysis     core-shell     heterojunction     H2     TiO2     Bi2O3    

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Quantitative standard of eco-compensation for the water source area in the middle route of the South-to-NorthWater Transfer Project in China

Zhanfeng DONG, Jinnan WANG

《环境科学与工程前沿（英文）》 2011年 第5卷 第3期   页码 459-473 doi: 10.1007/s11783-010-0288-9

摘要： The Middle Route Project(MRP) of the South-to-North Water Transfer Scheme (SNWT) in China will require a very large financial expenditure to ensure the water supply and the associated water quality to northern China. An eco-compensation mechanism between the water service source areas and its beneficiaries is essential. This paper establishes an analytic framework of eco-compensation standard for the protection of the water source area, including both the calculation of eco-compensation based on opportunity cost method (OCM) and calculation of the burden sharing of eco-compensation between the water source area and the external water reception area based on the deviation square method (DSM). Taking Shiyan City, Hubei Province in China as a case study, our results show that the eco-compensation in the first-phase of MRP for the water source area in Shiyan, Hubei Province should be 1.63×10 CNY, about four times of planned eco-construction investment budget(4.33×10 CNY). In addition, the burden sharing of eco-compensation varied greatly in terms of different methods. It would be better to integrate the results of different single-factor burden sharing methods by determining the corresponding weighting coefficient with DSM and form one unanimous consent result by the interested parties.

关键词： the South-to-North Water Transfer Scheme     eco-compensation standard     opportunity costs     deviation square method    

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A microextraction approach for rapid extraction and separation of Mn(II) and Co(II) using saponified

《化学科学与工程前沿（英文）》 2022年 第16卷 第6期   页码 963-972 doi: 10.1007/s11705-021-2081-7

摘要： In this paper, we proposed a microextraction approach for the extraction and separation of Mn(II) and Co(II) from sulfate solution simulating leachate of spent lithium-ion battery cathode materials using saponified di-(2-ethylhexyl)phosphoric acid system. The effects of the following operational variables were investigated: equilibrium pH, tri-n-butyl phosphate concentration, saponification rate, two-phase ratio and residence time. The results showcased that the microextractor can reach the extraction equilibrium within 20 s, thereby greatly reducing necessary extraction time comparing to that of conventional processes. The volumetric mass transfer coefficient showed 8–21 times larger than that of batch device. With the help of microextractor, 95% of Mn(II) was extracted with a single theoretical stage at a chosen two-phase ratio of 3:1, and the separation factor βMn/Co was as large as 65.5. In the subsequent stripping step, more than 99% of manganese from loaded phase was easily stripped under optimal conditions. The microextraction approach greatly enhances the mass transfer while enabling a continuous and controllable extraction process within a simple structure design. When extracting spent electrode material with microextractors, the comprehensive recovery of mangenese can reach 96%. The microextraction approach has a good applicability in the spent lithium-ion battery cathode materials recycling at both bench and industrial scales.

关键词： extraction equilibrium     mass transfer coefficient     microextraction     multicomponent extraction     di-(2-ethylhexyl)phosphoric acid    

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Ecological assessment of lakeshore wetland rehabilitation on eastern route of South-to-North Water Transfer

ZHANG Jian, Lu Yifeng, JING Yuming, ZHANG Bo, ZHANG Chenglu, MENG Fei, ZHANG Huayong

《环境科学与工程前沿（英文）》 2008年 第2卷 第3期   页码 306-310 doi: 10.1007/s11783-008-0057-1

摘要： To evaluate the ecological effects of lakeshore wetland rehabilitation on the eastern route of the South-to-North Water Transfer Project, species composition, coverage, height, and biomass of wetland communities at 22 sites of the study area on the shore of Nansi Lake in April and May 2007 were investigated. The wetlands under investigation were divided into platform fields, transition zones, and shallow water zones according to differences in elevations, water levels, and human activities. The species richness index, Shannon-Wiener index, Simpson index, and Pielou Evenness index were adopted to delineate and discuss the ecological effects of lakeshore wetland rehabilitation in 22 quadrates. Results showed that the species richness of the wetland areas after 2 years’ rehabilitation amounted to 47 of 24 families, higher than 25 of 20 families in areas without rehabilitation. The biodiversity index and abundance index of rehabilitated areas were also higher than those of platform fields and fish ponds where there was no rehabilitation. In addition, the Shannon-Wiener index, Simpson index, and community evenness index of platform fields in rehabilitated wetland areas were 1.619, 0.745, and 0.860, respectively, higher than those of the platform fields before rehabilitating. The results suggested that the constructed lakeshore wetland played an important role in protecting the diversity of species.

关键词： community     South-to-North     Shannon-Wiener     Evenness     addition    

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Synthesis, spectroscopic, and electrochemical properties of two dyads consisted of tetrathiafulvalene and carbazole

Guoqiao LAI, Yibo LIU, Meijiang LI, Yongjia SHEN

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 192-195 doi: 10.1007/s11705-009-0015-x

摘要： Two donor-σ-acceptor molecules containing tetrathiafulvalene (TTF) and carbazole moieties were synthesized by the reaction of 9-(4-bromo-butyl)-carbazole ( ) with 2,6-bis(hexylthio)-3-(2-cyanoethylthio)-7-(methylthio)-tetrathiafulvalene ( ) or 2,6-bis(2-cyanoethylthio)-3,7-bis(methylthio)tetrathiafulvalene ( ) in the presence of CsOH·H O, respectively. The structures of the molecules were characterized by H NMR, C NMR, MS, and elemental analyses. They showed negligible intramolecular charge-transfer interaction in their ground states as indicated by their UV-Vis spectroscopics and cyclic voltammetry results. Compared with carbazole, their fluorescence was strongly quenched, which implied that a photo induced electron transfer (PET) interaction between TTF and carbazole moieties occurred.

关键词： donor-σ-acceptor molecule     intramolecular charge transfer interaction     photo induced electron transfer     tetrathiafulvalene     carbazole    

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Influence of β-elemene on the secretion of angiotensin II and expression of AT1R in hepatic stellate

Ling YANG, Rui ZHU, Qingjing ZHU, Dan DAN, Jin YE, Keshu XU, Xiaohua HOU

《医学前沿（英文）》 2009年 第3卷 第1期   页码 36-40 doi: 10.1007/s11684-009-0020-y

摘要： This study aims to investigate the influence of β-elemene on the secretion of angiotensin II (ANG II) and the expression of angiotensin receptor type 1 (AT1R) in hepatic stellate cells (HSCs). , HSC-T6 were cultured for 24 hours and then treated with different doses of β-elemene (2.5, 5 and 10 mg/L). A control group was also set up. The secretion of ANG II in the supernatant was detected by radioimmunoassay. The mRNA expression of AT1R at 4, 12 and 24 h after treatment was detected by reverse transcription-polymerase chain reaction (RT-PCR), respectively. The protein expression of AT1R was detected by western blot. At the 4th h, the ANG II secretion in the supernatant was significantly inhibited by 10 mg/L β-elemene compared with the control group ( <0.05), while 5.0 mg/L and 2.5 mg/L β-elemene had no inhibitory effect on the secretion of ANG II ( >0.05). At the time point of the 12th h, the secretion of ANG II in the supernatant treated with 10 mg/L and 5.0 mg/L β-elemene was significantly lower than the control ( <0.01, <0.05). Following the treatment with 5.0 mg/L and 2.5 mg/L β-elemene for 24 h, significant inhibition of ANG II secretion was observed ( <0.05), but 10 mg/L β-elemene had no such effect. β-elemene significantly reduced the amount of AT1R mRNA in HSCs after the treatment for 4, 12, and 24 h in a dose-dependent manner. The expression of AT1R protein also decreased after the treatment with β-elemene for 24 h. β-elemene can inhibit the secretion of ANG II and the gene and protein expression of AT1R, which may be the mechanism by which β-elemene prevents the progress of hepatic fibrosis.

关键词： liver cirrhosis     beta-elemene     hepatic stellate cells     angiotensin II     receptor     angiotensin     type 1    

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Highly selective detection of copper(II) by a “ligand-free” conjugated copolymer in nucleophilic solvents

Weixing Deng, Pengfei Sun, Quli Fan, Lei Zhang, Tsuyoshi Minami

《化学科学与工程前沿（英文）》 2020年 第14卷 第1期   页码 105-111 doi: 10.1007/s11705-019-1791-6

摘要： The synthesis of -cyclohexyl carbamate-attached fluorene- -phenylene copolymer (PFPNCC) and the use of PFPNCC as a “ligand-free” fluorescent chemosensor for Cu(II) are described. Addition of Cu(II) can efficiently quench the fluorescence of PFPNCC in nucleophilic solvents such as DMF and DMSO, but not in low nucleophilic solvents such as 1,4-dioxane and THF. Ultraviolet-visible spectra of the mixture of the conjugated polymer and Cu(II) indicate the presence of a reduced Cu(I) ion in the solution. Furthermore, fluorescence recovery of PFPNCC observed at low temperature suggests that the quenching and reducing mechanism is most probably due to a photo-induced electron transfer from excited PFPNCC to Cu(II). Our findings provide a novel strategy for highly selective conjugated polymer-based chemosensors for various target analytes, albeit “ligand-free”.

关键词： ligand-free     fluorescent chemosensor     copper     photo-induced electron transfer    

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Generation of enhanced stability of SnO/In(OH)/InP for photocatalytic water splitting by SnO protection layer

《能源前沿（英文）》 2021年 第15卷 第3期   页码 710-720 doi: 10.1007/s11708-021-0764-x

摘要： InP shows a very high efficiency for solar light to electricity conversion in solar cell and may present an expectation property in photocatalytic hydrogen evolution. However, it suffers serious corrosion in water dispersion. In this paper, it is demonstrated that the stability and activity of the InP-based catalyst are effectively enhanced by applying an anti-corrosion SnO layer and In(OH)3 transition layer, which reduces the crystal mismatch between SnO and InP and increases charge transfer. The obtained Pt/SnO/In(OH)3/InP exhibits a hydrogen production rate of 144.42 µmol/g in 3 h under visible light illumination in multi-cycle tests without remarkable decay, 123 times higher than that of naked In(OH)3/InP without any electron donor under visible irradiation.

关键词： SnO/In(OH)3/InP photocatalyst     enhanced activity and stability for water splitting     corrosion inhibition     enhancing charge transfer and decreasing crystal mismatch    

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Synthesis and properties of tetrathiafulvalene-fluorescein dyads

Guoqiao LAI, Yibo LIU, Yu ZHANG, Jun RUAN, Meijiang LI, Yongjia SHEN

《化学科学与工程前沿（英文）》 2009年 第3卷 第3期   页码 314-317 doi: 10.1007/s11705-009-0207-4

摘要： Two donor-acceptor molecular systems consisted of tetrathiafulvalene (TTF) and fluorescein were designed and synthesized. The target compounds and their key intermediates were characterized by H NMR, mass spectrography, and infrared spectroscopy, respectively. The UV-vis spectra implied intramolecular interaction in their ground state. Fluorescence spectra and fluorescence lifetimes indicated the photoinduced charge transfer (PET) interaction between the TTF and fluorescein units in their excited states.

关键词： TTF     fluorescein     charge transfer    

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A density functional theory study of methane activation on MgO supported NiM cluster: role of M on C–H activation

《化学科学与工程前沿（英文）》 2022年 第16卷 第10期   页码 1485-1492 doi: 10.1007/s11705-022-2169-8

摘要： Methane activation is a pivotal step in the application of natural gas converting into high-value added chemicals via methane steam/dry reforming reactions. Ni element was found to be the most widely used catalyst. In present work, methane activation on MgO supported Ni–M (M = Fe, Co, Cu, Pd, Pt) cluster was explored through detailed density functional theory calculations, compared to pure Ni cluster. CH4 adsorption on Cu promoted Ni cluster requires overcoming an energy of 0.07 eV, indicating that it is slightly endothermic and unfavored to occur, while the adsorption energies of other promoters M (M = Fe, Co, Pd and Pt) are all higher than that of pure Ni cluster. The role of M on the first C–H bond cleavage of CH4 was investigated. Doping elements of the same period in Ni cluster, such as Fe, Co and Cu, for C–H bond activation follows the trend of the decrease of metal atom radius. As a result, Ni–Fe shows the best ability for C–H bond cleavage. In addition, doping the elements of the same family, like Pd and Pt, for CH4 activation is according to the increase of metal atom radius. Consequently, C–H bond activation demands a lower energy barrier on Ni–Pt cluster. To illustrate the adsorptive dissociation behaviors of CH4 at different Ni–M clusters, the Mulliken atomic charge was analyzed. In general, the electron gain of CH4 binding at different Ni–M clusters follows the sequence of Ni–Cu (–0.02 e) < Ni (–0.04 e) < Ni–Pd (–0.08 e) < Ni–Pt (–0.09 e) < Ni–Co (–0.10 e) < Ni–Fe (–0.12 e), and the binding strength between catalysts and CH 4 raises with the CH4 electron gain increasing. This work provides insights into understanding the role of promoter metal M on thermal-catalytic activation of CH4 over Ni/MgO catalysts, and is useful to interpret the reaction at an atomic scale.

关键词： CH4 dissociation     Ni–M     C–H bond activation     charge transfer    

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Novel method of constructing generalized Hoberman sphere mechanisms based on deployment axes

Xuemin SUN, Yan-An YAO, Ruiming LI

《机械工程前沿（英文）》 2020年 第15卷 第1期   页码 89-99 doi: 10.1007/s11465-019-0567-5

摘要： This study proposes a method of constructing type II generalized angulated elements (GAEs II) Hoberman sphere mechanisms on the basis of deployment axes that intersect at one point. First, the constraint conditions for inserting GAEs II into deployment axes to form a loop are given. The angle constraint conditions of the deployment axes are obtained through a series of linear equations. Second, the connection conditions of two GAEs II loops that share a common deployable center are discussed. Third, a flowchart of constructing the generalized Hoberman sphere mechanism on the basis of deployment axes is provided. Finally, four generalized Hoberman sphere mechanisms based on a fully enclosed regular hexahedron, arithmetic sequence axes, orthonormal arithmetic sequence axes, and spiral-like axes are constructed in accordance with the given arrangement of deployment axes that satisfy the constraint conditions to verify the feasibility of the proposed method.

关键词： deployable mechanism     type II generalized angulated elements     Hoberman sphere mechanism     deployment axes     constraint conditions    

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Charge-carrier photogeneration and extraction dynamics of polymer solar cells probed by a transient photocurrentnearby the regime of the space charge-limited current

Boa Jin, Hyunmin Park, Yang Liu, Leijing Liu, Jongdeok An, Wenjing Tian, Chan Im

《化学科学与工程前沿（英文）》 2021年 第15卷 第1期   页码 164-179 doi: 10.1007/s11705-020-1976-z

摘要： To understand the complex behaviors of photogenerated charge carriers within polymer-based bulk-heterojunction-type solar cells, the charge-carrier photogeneration and extraction dynamics are simultaneously estimated using a transient photocurrent technique under various external-bias voltages, and a wide range of excitation intensities are analyzed. For this purpose, conventional devices with 80 nm thick active layers consisting of a blend of representative P3HT and PTB7 electron-donating polymers and proper electron-accepting fullerene derivatives were used. After the correction for the saturation behavior at a high excitation-intensity range nearby the regime of the space charge-limited current, the incident-photon-density-dependent maximum photocurrent densities at the initial peaks are discussed as the proportional measures of the charge-carrier-photogeneration facility. By comparing the total number of the extracted charge carriers to the total number of the incident photons and the number of the initially photogenerated charge carriers, the external quantum efficiencies as well as the extraction quantum efficiencies of the charge-carrier collection during a laser-pulse-induced transient photocurrent process were obtained. Subsequently, the charge-carrier concentration-dependent mobility values were obtained, and they are discussed in consideration of the additional influences of the charge-carrier losses from the device during the charge-carrier extraction that also affects the photocurrent-trace shape.

关键词： charge-carrier photogeneration     transient photocurrent     polymer solar cells     charge-carrier extraction     space charge-limited current    

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Facile route to achieve MoSe-NiSe on nickel foam as efficient dual functional electrocatalysts for overall

《能源前沿（英文）》 2022年 第16卷 第3期   页码 483-491 doi: 10.1007/s11708-022-0813-0

摘要： Since the catalytic activity of present nickel-based synthetic selenide is still to be improved, MoSe2-Ni3Se2 was synthesized on nickel foam (NF) (MoSe2-Ni3Se2/NF) by introducing a molybdenum source. After the molybdenum source was introduced, the surface of the catalyst changed from a single-phase structure to a multi-phase structure. The catalyst surface with enriched active sites and the synergistic effect of MoSe2 and Ni3Se2 together enhance the hydrogen evolution reactions (HER), the oxygen evolution reactions (OER), and electrocatalytic total water splitting activity of the catalyst. The overpotential of the MoSe2-Ni3Se2/NF electrocatalyst is only 259 mV and 395 mV at a current density of 100 mA/cm2 for HER and OER, respectively. MoSe2-Ni3Se2/NF with a two-electrode system attains a current density of 10 mA/cm2 at 1.60 V. In addition, the overpotential of HER and OER of MoSe2-Ni3Se2/NF within 80000 s and the decomposition voltage of electrocatalytic total water decomposition hardly changed, showing an extremely strong stability. The improvement of MoSe2-Ni3Se2/NF catalytic activity is attributed to the establishment of the multi-phase structure and the optimized inoculation of the multi-component and multi-interface.

关键词： three-dimensional molybdenum nanomaterials     hydrogen evolution reaction     oxygen evolution reaction     overall water splitting    

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标题 作者 时间 类型 操作

Design and mechanism insight on SiC quantum dots sensitized inverse opal TiO with superior photocatalytic activities under sunlight

期刊论文

Real-time immune-inspired optimum state-of-charge trajectory estimation using upcoming route information

Ahmad MOZAFFARI,Mahyar VAJEDI,Nasser L. AZAD

期刊论文

Interfacial charge transfer and photocatalytic activity in a reverse designed BiO/TiO core-shell

期刊论文

Quantitative standard of eco-compensation for the water source area in the middle route of the South-to-NorthWater Transfer Project in China

Zhanfeng DONG, Jinnan WANG

期刊论文

A microextraction approach for rapid extraction and separation of Mn(II) and Co(II) using saponified

期刊论文

Ecological assessment of lakeshore wetland rehabilitation on eastern route of South-to-North Water Transfer

ZHANG Jian, Lu Yifeng, JING Yuming, ZHANG Bo, ZHANG Chenglu, MENG Fei, ZHANG Huayong

期刊论文

Synthesis, spectroscopic, and electrochemical properties of two dyads consisted of tetrathiafulvalene and carbazole

Guoqiao LAI, Yibo LIU, Meijiang LI, Yongjia SHEN

期刊论文

Influence of β-elemene on the secretion of angiotensin II and expression of AT1R in hepatic stellate

Ling YANG, Rui ZHU, Qingjing ZHU, Dan DAN, Jin YE, Keshu XU, Xiaohua HOU

期刊论文

Highly selective detection of copper(II) by a “ligand-free” conjugated copolymer in nucleophilic solvents

Weixing Deng, Pengfei Sun, Quli Fan, Lei Zhang, Tsuyoshi Minami

期刊论文

Generation of enhanced stability of SnO/In(OH)/InP for photocatalytic water splitting by SnO protection layer

期刊论文

Synthesis and properties of tetrathiafulvalene-fluorescein dyads

Guoqiao LAI, Yibo LIU, Yu ZHANG, Jun RUAN, Meijiang LI, Yongjia SHEN

期刊论文

A density functional theory study of methane activation on MgO supported NiM cluster: role of M on C–H activation

期刊论文

Novel method of constructing generalized Hoberman sphere mechanisms based on deployment axes

Xuemin SUN, Yan-An YAO, Ruiming LI

期刊论文

Charge-carrier photogeneration and extraction dynamics of polymer solar cells probed by a transient photocurrentnearby the regime of the space charge-limited current

Boa Jin, Hyunmin Park, Yang Liu, Leijing Liu, Jongdeok An, Wenjing Tian, Chan Im

期刊论文

Facile route to achieve MoSe-NiSe on nickel foam as efficient dual functional electrocatalysts for overall

期刊论文