Nano Energy
·
2025
·
IF 17.1
Zeshuang Kong,Dafeng Zhang,Junchang Liu,Xue-Yang Ji,Peiqing Cai,Xipeng Pu,Huayang Zhang
In the S-scheme heterojunction, photogenerated electrons from the oxidation photocatalyst recombine with holes from the reduction photocatalyst, enhancing redox potential and boosting photocatalytic activity. However, the recombination mechanism at these interfaces remains largely unexplored. In this study, we design a Cd 0.9 Zn 0.1 S/ZnWO 4 (CZS/ZWO) S-scheme heterojunction model guided by theoretical predictions. Remarkably, a nano-tetrapod-shaped CZS/ZWO S-scheme heterojunction is synthesized via a simple solvothermal and ultrasonic self-assembly method, achieving hydrogen evolution performance under visible light irradiation for 3 h that is 3.69 times higher than CZS alone and 4.63 times higher than ZWO alone. Further theoretical calculations simulate the charge transfer mechanism, electron density localization, and transition states in the photocatalytic hydrogen evolution reaction. Finally, integrating theoretical and experimental data, an S-Zn channel is proposed within the CZS/ZWO S-scheme heterojunction, clarifying the electron transfer pathway. This study provides a detailed understanding of charge transfer dynamics in S-scheme heterojunction.
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2023
·Vol. 30
·期 16
·47025-47037
·
IF 5.8
Wang Tianyu,Yang Lang,Rao Feng,Jiang Kaixi,Byrynnai Choduraa
Adding organics in the process of geopolymer synthesis can combine the functional groups of organics with the three-dimensional structure of geopolymer, thus changing the properties of geopolymer such as compressive strength, flexural strength, and acid resistance. In this work, excellent mechanical properties and acid resistance of metakaolin-blast furnance slag (Mk-BFS)-based geopolymer were synthesized by the incorporation of chitosan. The formation of sodium-alumino-silicate-hydrate (N-A-S–H) gel and calium-alumino-silicate-hydrate (C-A-S–H) gel in geopolymerization were characterized by 29 Si nuclear magnetic resonance (NMR). At 5% of chitosan, the compressive strength of Mk-BFS-based geopolymer could reach to 33.7 MPa. The results could be ascribed to that chitosan reacts with geopolymer to generate new C-O-Si structure meanwhile adhesion produced by the combination of positively charged cations and negatively charged ions makes the structure of geopolymer denser. After 7 days of sulfuric acid immersion, the reduction of compressive strength is less than 3 MPa, demonstrating its great acid resistance. The acid resistance of Mk-BFS-based geopolymer could attribute to that the free amino groups in chitosan preferentially react with acid solution and weakened the erosion of sulfuric acid. This study optimizes the compressive strength and acid resistance of geopolymer by adding appropriate amount of chitosan.
研究领域:
材料科学
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硅酸盐化学
·
无机非金属材料
·
功能复合材料
·
建筑材料
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DOI
高影响因子
CONSTRUCTION AND BUILDING MATERIALS
·
2019
·
IF 4.046
Tao Yang,Zuhua Zhang,Huajun Zhu,Xuan Gao,Chendong Dai,Qisheng Wu
High-magnesium nickel slag (HMNS) has shown the potential as precursor in the production of alkali-activated materials (AAMs). This study re-examines the suitability of HMNS by comparatively investigating the reactivity of four different sourced HMNSs and analyzing impacts of the magnesium sources in HMNS on the reaction products of AAMs. Results show that the cooling way plays a determinant role of their mineral compositions. The air-cooled HMNSs contain only ∼30 wt% glassy phases, while the water-quenched one is dominantly amorphous. The reactivity of HMNS determined by the dissolution tests correlates well with the calculated depolymerization degree of glasses. HMNS indeed exhibits lower reactivity than the precursors commonly used for AAMs production, such as fly ash and blast furnace slag . In the HMNS samples in the sodium hydroxide solution, M-S-H, C-S-H and hydrotalcite are the main reaction products. The OH − ions in the aqueous system react with Mg 2+ to form the brucite, indicating that there is still a volume expansion risk if sodium hydroxide is used as activator. In comparison, only M-S-H and C-S-H gels are coexistent in the samples leached in the sodium silicate solution, because of the kinetic hindrance of soluble silicates for the formation of hydrotalcite and brucite.
研究领域:
材料科学
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硅酸盐化学
·
无机非金属材料
·
固废资源化
·
建筑材料
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POLYMER BULLETIN
·
2011
·Vol. 67
·期 9
·1761-1771
·
IF 1.215
Zhu Ming,Liu Xiao,Liu Baijun,Jiang Zhenhuan,Matsumoto Toshihiko
A new diamine monomer, 1,5-bis[4-(4-aminophenoxy)]benzoyl-2,6-dimethoxynaphthalene, was synthesized via a Friedel–Crafts acylation reaction followed by an aromatic nucleophilic substitution reaction. Six ether–ketone linked polymers, named as poly(ether ketone azomethane)s and poly(ether ketone imide)s, were successfully prepared through the polycondensations of the diamine monomer with dialdehydes and dianhydrides, respectively. These naphthylated polymers exhibited high T
g values (142–288 °C), due to their bulky and rigid chemical structure. Meanwhile, they showed good thermal stability and improved solubility. Typically, some of them were casted into thin flexible film and showed high moduli.
研究领域:
材料科学
·
高分子化学
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高影响因子
JOURNAL OF ANALYTICAL TOXICOLOGY
·
2020
·Vol. 44
·期 6
·596-600
·
IF 3.513
Wang Ting,Shen Baohua,Wu Hejian,Gu Jun,Shen Min,Xiang Ping
In this study, the relationships between the concentrations of R/S-methamphetamine (MA) and its metabolite R/S-amphetamine (AP), the AP/MA ratio in hair samples, and MA dependence were investigated by performing segmental hair analysis in MA users. Authentic hair samples collected from 10 chronic MA abusers were cut into 1-cm sections (a total of 120 segments). The concentrations of MA and AM enantiomers were quantitatively measured by the LC–MS-MS method. The S-MA concentrations ranged from 1.17 to 256.41 ng/mg and the S-AP concentrations ranged from 0.11 to 23.31 ng/mg in the 120 segments. S-MA and S-AP were the most common analytes identified in hair; no R-MA or R-AP was found. The S-AP/S-MA ratios ranged from 0.03 to 0.32, indicating that the subjects primarily consumed S-MA rather than R-MA or AP. The S-AP/S-MA ratios in the long hair of all chronic MA abusers showed some variation, but there was an overall trend of gradual increase from the distal to the proximal end. This trend was independent of the drug concentrations. Therefore, we could conclude that the AP/MA ratios increased with the duration of MA abuse, and a higher AP/MA ratio suggested high MA dependence. There was no chiral conversion of MA or AP in the hair matrix. The segmental hair analysis showed that all subjects continuously used S-MA, and some users showed an increase in drug dose or the frequency of use.
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高影响因子
APPLIED CLAY SCIENCE
·
2022
·
IF 5.907
Fayang Guo,Dabao Li,Jeremy B. Fein,Jingcheng Xu,Yingwei Wang,Qiaoyun Huang,Xingmin Rong
Reactions occurring at silicate minerals play a significant role in controlling phenolic endocrine disrupting chemicals' bioavailability and mobility. However, the underlying molecular mechanisms for BPA (bisphenol A) and BPS (bisphenol S) onto montmorillonite (MMT) remain poorly understood. To decipher the molecular-level interfacial configuration and dominant reaction mechanism, batch experiments, X-ray diffraction (XRD), Fourier transform infrared spectrum (FTIR), X-ray photoelectron spectroscopy (XPS) measurements, and density functional theory (DFT) calculations were performed. Our batch adsorption experiments showed that MMT exhibits a higher adsorption capacity for BPS than for BPA. The XRD analysis also suggested that BPA and BPS could enter the interlayer of MMT. FTIR and XPS results revealed that The Ca atoms and the oxygen atoms in the SiO 4 tetrahedra were involved in BPA and BPS adsorption process via non-covalent interactions. The electrostatic potential calculations suggested that the sulfonyl O site and the hydroxyl H site on the BPS molecule are more favorable for interacting with the MMT surface than the hydroxyl O and H sites of the BPA molecule. DFT calculations further confirmed that stronger binding of BPS than BPA onto the (001) surface and the interlayer of MMT. BPA tends to form Ca ion bridges through hydroxyl groups onto MMT. In contrast, BPS prefers to form Ca ion bridges onto MMT through its sulfonyl group and form hydrogen bonds via hydroxyl groups. This study provides new insights into the molecular-scale interactions that control BPA and BPS adsorption onto an important and environmentally-relevant clay mineral, and which affect the fate and behavior of BPA and BPS in soil systems.
研究领域:
环境科学
·
分子生物学
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高影响因子
INORGANIC CHEMISTRY
·
2019
·
IF 4.85
Shikang Yin,Jinze Li,Linlin Sun,Xin Li,Dong Shen,Xianghai Song,Pengwei Huo,Huiqin Wang,Yongsheng Yan
Photocatalytic reduction of CO2 by semiconductors is of great significance in generating value-added fuels. Here, we construct a novel S–C–S heterojunction constituted of MoS2/SnS2/r-GO by a simple solvothermal method. The prepared MoS2/SnS2/r-GO showed significant photoexcitation of photosensitive oxygen (ROS) by electron spin resonance spectroscopy, demonstrating that superoxide radicals (•O2–), pores, and hydroxyl radicals (•OH) are the main active species. The constructed S–C–S heterojunction has a multilevel electron transport mechanism and synergistic effect, which provides the possibility of producing more organic fuel. The photocatalytic materials were characterized by XRD, XPS, SEM, TEM, PL, etc. As a result, the atomic layer MoS2/SnS2/r-GO heterojunction exhibited a CO formation rate of 68.53 μmol g–1 h–1 and a CH4 formation rate of 50.55 μmol g–1 h–1, respectively. This work opens up new prospects for the formation of heterojunctions of chalcogenide transition-metal sulfides.
研究领域:
材料科学
·
环境科学
·
化学
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高影响因子
ACS Applied Energy Materials
·
2022
·
IF 6.959
Yan Zhang,Chuang Chen,Qiu-Hui Zheng,Zhan-Kuo Guo,Bao-Xia Dong,Yun-Lei Teng
Metal heteroatom doped carbon materials display remarkable catalytic performance in the electrochemical CO2 reduction (ECR) because the doped heteroatoms can significantly change the local density of state and electronic structure of carbon, which induces charge polarization or structural defects. Herein, we synthesized S-doped NiII-triazolate precursors with high purity and crystallinity through a simple one-step hydrothermal method. The high-temperature pyrolysis process produced a series of Ni–S–CT (T = 800, 900, 1000 °C) materials with Ni3S2 as the main component. It resulted in significant carbon structure defects in the catalyst, which increased the specific surface area and pore volume, providing a basis for improving the ECR activity. Through the structural characterizations of powder X-ray diffraction (PXRD), Raman, X-ray photoelectron (XPS), Brunauer–Emmett–Teller (BET), transmission electron microscopy (TEM), and electrochemical characterizations of linear sweep voltammetry (LSV), chronoamperometry (i–t curve), electrochemical impedance spectroscopy (EIS), and electrochemical active surface area (ECSA), as well as gaseous product analysis, we can build the structural-performance relationship. Ni–S–CT catalysts all reached the highest CO Faraday efficiency at −1.5 V vs Ag/AgCl potential, among which Ni–S–C1000 exhibited the best catalytic activity (FECO of 66.6% and jCO of 1.28 mA/cm2). It also displayed excellent stability and recyclability, which could realize the efficient reuse of the catalyst. In addition, the density functional theory (DFT) calculation was carried out on Ni3S2 to illustrate the ECR activity origination. It is the first report on Ni3S2-based catalysts in the application of ECR.
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高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2021
·
IF 13.273
Tong Liu,Zhican Xie,Peng Zhou,Zhaokun Xiong,Heng Zhang,Zhicheng Pan,Yang Liu,Bo Lai
Transition metal activation of sulfite (S(IV)) is a promising wastewater treatment technology . In this study, the activation of potassium pyrosulfite (PPS) with ferric iron (Fe 3+ ) is proposed firstly to degrade carbamazepine (CBZ). PPS has the advantages of low cost, non-toxicity and acidic solution, which makes it unnecessary to adjust the pH. The results showed that the Fe 3+ cycle was realized during the reaction process, and the degradation trend of CBZ was consistent with the formation rate of Fe 2+ and the decay rate of S(IV). Moreover, oxygen (O 2 ) plays a decisive role in the system and was the initiator of free radical chain reactions. The existence of sulfite radical (SO 3 •− ), sulfate radical (SO 4 •− ) and hydroxyl radicals (HO • ) in Fe 3+ /PPS system was proved by electron paramagnetic resonance (EPR), quenching experiments and terephthalic acid (TA) photoluminescence probing technique. The contribution of SO 4 •− and OH • to the removal of CBZ in Fe 3+ /PPS system is 64% and 35%, respectively. In addition, intermediates of CBZ were identified by Liquid Chromatography–Tandem Mass Spectrometry (LC–MS/MS) and possible removal pathways were also proposed. Finally, the effects of PPS concentration, Fe 3+ concentration, initial pH, anions and humic acid (HA) were also investigated.
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SOLAR ENERGY MATERIALS AND SOLAR CELLS
·
2017
·
IF 4.784
Shoushuai Gao,Yi Zhang,Jianping Ao,Shuping Lin,Zhaojing Zhang,Xiuling Li,Dongxiao Wang,Zhiqiang Zhou,Guozhong Sun,Fangfang Liu,Yun Sun
The direction of Se-Mo-Se sheets to the Mo film is crucial for the thickness of Mo(S,Se) 2 and the electrical conductivity , so as the back contact of Cu 2 ZnSn(S,Se) 4 solar cells. In this study, the preferred orientation of Mo(S,Se) 2 film changes from (100) peak to (103) peak, i.e. from perpendicular to the substrate to tilted to the substrate for Se-Mo-Se sheets as the roughness decrease of Mo back contact layer. The Se vapor can easily diffuse through the channels between Se-Mo-Se sheets when the formed Mo(S,Se) 2 layer is (100) peak preferred with Se-Mo-Se sheets perpendicular to the substrate, and thus excessively thick Mo(S,Se) 2 will be formed. Whereas, the Se-Mo-Se sheets are tilted to substrate when the preferred orientation of Mo(S,Se) 2 is (103) peak. The tilted Se-Mo-Se sheets can act as a natural Se diffusion barrier to suppress the Se vapor diffusion through the already formed Mo(S,Se) 2 layer to further selenize the remaining Mo film, and also can provide a good electrical conductivity. As a result, the thickness of Mo(S,Se) 2 sharply decreased from 1500 nm to 200 nm with the surface morphology change of Mo back contact, which resulting in the decrease of series resistance of Cu 2 ZnSn(S,Se) 4 solar cells from 2.94 Ω cm 2 to 0.49 Ω cm 2 , and the increase of conversion efficiency of Cu 2 ZnSn(S,Se) 4 solar cells from 6.98% to 9.04%.
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INORGANIC CHEMISTRY
·
2024
·
IF 4.3
Minglun Cheng,Sibo Shen,Zhiwei Zhang,Kui Niu,Ning Wang
Electroreduction of CO2 to value-added low-carbon chemicals is a promising way for carbon neutrality and CO2 utilization. It was found that the diiron complex [(μ-bdt)Fe2(CO)6] (bdt = benzene-1,2-dithiolate) has high catalytic activity for electrocatalytic CO2 reduction. To further study the effect of the S-to-S bridge on the catalytic performances of diiron complexes for electrochemical CO2 reduction, four diiron complexes 1–4 with different rigid and conjugated S-to-S bridges were either selected or designed. The electrocatalytic studies showed that under optimal conditions, 2 with a 2,3-naphthalenedithiolato bridge exhibited the lowest catalytic onset potential (Eonset = −1.75 V vs Fc+/0), while 4 with a diphenyl-1,2-vinylidene bridge displayed the highest catalytic activity (TOFmax = 295 s–1), which is 1.5 times that of [(μ-bdt)Fe2(CO)6]. The controlled potential electrolysis experiments of 4 in 0.1 M MeOH/MeCN at −2.35 V vs Fc+/0 gave a total faradaic yield close to 100%, with selectivities of 77%, 9%, and 14% for HCOOH, CO, and H2, respectively. The mechanism for CO2 reduction was studied using density functional theory, IR spectroelectrochemistry, and electrochemical methods. The results indicate that modifying the structure of the S-to-S bridge is an effective strategy to improve the catalytic performance of diiron complexes for electrocatalytic CO2 reduction.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Chenlu Chen,Yue Xu,Zhiruo Li,Yinxin Yang,Yuxu Tao,Xiaoxuan Wang,Yini Wang,Haikuan Yuan,Lijuan Zhang,Xijian Liu,Jie Lu
In this article, the molar fraction solubility of (R,S)- and (S)-tetramisole hydrochloride in two binary solvents (methanol + ethanol and methanol + toluene) was measured by experiments between 283.15 K and 323.15 K. Then four different equations including Apelblat equation, λh equation, GSM equation, Jouyban-Acree equation were applied to connect the measured solubility data of (R,S)- and (S)-tetramisole hydrochloride, where Apelblat equation had the minimum ARD %. The crystal structures together with intermolecular interactions of (R,S)- and (S)-tetramisole hydrochloride were then analyzed. In addition, the infrared spectra were also simulated using dimer configurations. Furthermore, molecular dynamic simulations including radial distribution function (RDF) combined with solvation free energy were performed to explore solvent–solvent interactions along with solute–solvent interactions. The results showed that there was co-solvency in methanol + toluene binary solvent. According to simulation results, both solvent–solvent interactions and solute–solvent interactions played an important role in affecting the solubilities of (R,S)- and (S)-tetramisole hydrochloride. In the end, combining solid state characterization and ternary phase diagrams, (R,S)-tetramisole hydrochloride was determined to be a racemic compound. All the results in this paper can provide theoretical support for enhancing crystallization resolution techniques for chiral drugs.
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