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Exploring the impact of Nafion modifier on electrocatalytic CO_(2) reduction over Cu catalyst 被引量:1
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作者 Yingshi Su Yonghui Cheng +6 位作者 Zhen Li Yanjia Cui Caili Yang Ziyi Zhong Yibing Song Gongwei Wang Lin Zhuang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期543-551,I0012,共10页
Nafion as a universal polymer ionomer was widely applied for nanocatalysts electrode preparation.However,the effect of Nafion on electrocatalytic performance was often overlooked,especially for CO_(2)electrolysis.Here... Nafion as a universal polymer ionomer was widely applied for nanocatalysts electrode preparation.However,the effect of Nafion on electrocatalytic performance was often overlooked,especially for CO_(2)electrolysis.Herein,the key roles of Nafion for CO_(2)RR were systematically studied on Cu nanoparticles(NPs)electrocatalyst.We found that Nafion modifier not only inhibit hydrogen evolution reaction(HER)by decreasing the accessibility of H_(2)O from electrolyte to Cu NPs,and increase the CO_(2)concentration at electrocatalyst interface for enhancing the CO_(2)mass transfer process,but also activate CO_(2)molecule by Lewis acid-base interaction between Nafion and CO_(2)to accelerate the formation of^(*)CO,which favor of C–C coupling for boosting C_(2)product generation.Owing to these features,the HER selectivity was suppressed from 40.6%to 16.8%on optimal Cu@Nafion electrode at-1.2 V versus reversible hydrogen electrode(RHE),and as high as 73.5%faradaic efficiencies(FEs)of C_(2)products were achieved at the same applied potential,which was 2.6 times higher than that on bare Cu electrode(~28.3%).In addition,Nafion also contributed to the long-term stability by hinder Cu NPs morphology reconstruction.Thus,this work provides insights into the impact of Nafion on electrocatalytic CO_(2)RR performance. 展开更多
关键词 Nafion modifier CO_(2)reduction Cu nanoparticles In situ ATR-SEIRAS C_(2)product
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Effect of Nb on the Microstructure and Mechanical Properties of Cast NiAl-Cr(Mo) Eutectic Alloy 被引量:3
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作者 Kaiwen HUAI Jianting GUO +2 位作者 Zirong REN Qiang GAO Rui YANG 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2006年第2期164-168,共5页
The microstructure and mechanical behaviors of NiAl-28Cr-5Mo-1Nb eutectic alloy were investigated by using scanning electron microscopy, X-ray diffraction, transmission electron microscopy and compression tests, respe... The microstructure and mechanical behaviors of NiAl-28Cr-5Mo-1Nb eutectic alloy were investigated by using scanning electron microscopy, X-ray diffraction, transmission electron microscopy and compression tests, respectively. The alloy is mainly composed of three phases, which are the gray lamellar Cr(Mo) plate, black NiAI matrix and semicontinuously distributed Cr2Nb-type Laves phase. Through Nb addition, NiAl-Cr(Mo)/Nb alloy exhibits a reasonable balance of high temperature strength and room temperature compression ductility and its mechanical behaviors are superior to the NiAl-28Cr-6Mo eutectic alloy at all temperature. The elevated temperature compression deformation behavior of NiAl-Cr(Mo)/Nb alloy can be properly described by power-law equation.the National High Technology Committee of China (No. 863-715-005-0030) for financial supports. 展开更多
关键词 NiAl-28Cr-51Mo-1Nb Microstructure Nb(Cr1-x-yNizAly)2 phase Mechanical properties Elevated temperature deformation mechanisms
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Synthesis and photophysical and electrochemical properties of new cyclometalated platinum complex containing oxadiazole ligand 被引量:3
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作者 邓继勇 刘煜 +2 位作者 胡峥勇 朱美香 朱卫国 《Journal of Central South University of Technology》 EI 2007年第3期344-347,共4页
A new cyclometalated platinum complex containing 2, 5-bis(naphthalene-1-yl)-1,3,4-oxadiazole ligand was synthesized and characterized. The UV-Vis absorptions and photoluminescent properties of the ligand and its plati... A new cyclometalated platinum complex containing 2, 5-bis(naphthalene-1-yl)-1,3,4-oxadiazole ligand was synthesized and characterized. The UV-Vis absorptions and photoluminescent properties of the ligand and its platinum complex were investigated. A characteristic metal-ligand charge transfer absorption peak at 439 nm in the UV spectrum and a strong emission peak at 625 nm in the photoluminescence spectrum were observed for this complex in dichloromethane. Cyclic voltammtry (CV) analysis shows that the EHOMO (energy level of the highest occupied molecular orbital) and ELUMO (energy level of the lowest unoccupied molecular orbital) of the platinum complex are about 、5.69 and 、3.25 eV, respectively, indicating that the oxadiazole-based platinum complex has a potential application in electrophosphorescent devices used as a red-emitting material. 展开更多
关键词 cyclometalated platinum complex OXADIAZOLE SYNTHESIS PHOTOLUMINESCENCE electrochemical property
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Solid Reference Electrode of Metallurgical Oxygen Sensor 被引量:2
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作者 LOU Tian-jun KONG Xiang-hua +1 位作者 HUANG Ke-qin LIU Qing-guo 《Journal of Iron and Steel Research International》 SCIE EI CAS CSCD 2006年第5期18-20,46,共4页
The thermal equilibrium state of the reference electrode was investigated. The results show that the temperature difference between the inside and the outside of zirconia tube was very small and the Seebeck effect can... The thermal equilibrium state of the reference electrode was investigated. The results show that the temperature difference between the inside and the outside of zirconia tube was very small and the Seebeck effect can be ignored after the sensor was dipped into liquid steel for more than 2 s. A special sensor was designed to test the relation between the EMF (electromotive force) of sensor and the thermal equilibrium state of the reference elec- trode. Based on these results, it is suggested that the peak in EMF curve was caused by the change of oxygen potential in reference electrode before the thermal equilibrium was reached. If NiO was added by 2 M- 5 M to the Cr/Cr2O3 reference electrode, the peak in EMF curve could be eliminated. 展开更多
关键词 ZRO2 solid electrolyte oxygen sensor reference electrode
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Temperature-dependent Hydrothermal Synthesis of Two Distinct Three-dimensional Copper Complexes 被引量:2
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作者 杨玉亭 屠长征 +2 位作者 缪娇娇 李俊莉 陈广 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第4期597-604,共8页
Two distinct copper coordination polymers, namely [Cu^Ⅱ2(2,5-pydc)2(bpp)2]·H2O(1) and Cu2^ⅠCu^Ⅱ(2,5-pydc)2(bpp)2(2)(2,5-pydc = pyridine-2,5-dicarboxylic acid, bpp = 1,3-bi(4-pyridyl)propane), h... Two distinct copper coordination polymers, namely [Cu^Ⅱ2(2,5-pydc)2(bpp)2]·H2O(1) and Cu2^ⅠCu^Ⅱ(2,5-pydc)2(bpp)2(2)(2,5-pydc = pyridine-2,5-dicarboxylic acid, bpp = 1,3-bi(4-pyridyl)propane), have been successfully synthesized through hydrothermal conditions under different temperatures. Single-crystal X-ray structural analysis revealed that both complexes 1 and 2 are 3D frameworks. Complex 1 is an 8-connected 2-fold interpenetrating network based on [Cu(2,5-pydc)]4 molecular building block(MBB), and also can be simplified as a 4-connected net if the Cu(Ⅱ) ion is regarded as an independent node, whereas 2 shows a(4,4)-connected non-interpenetrated framework which contains mixed valence Cu(Ⅰ/Ⅱ) centers. The results demonstrate that temperature plays a significant role in the final structures of the complexes. 展开更多
关键词 copper coordination polymer temperature hydrothermal reactions mixed valence
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Ionothermal Synthesis and Fluorescence Property of a Complex Constructed by Seven Nuclear(CH_3COO)_2Co_7(OH)_2] Clusters and 4,4'-Oxybisbenzoic Acid Ligand 被引量:1
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作者 李飒英 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第6期980-986,共7页
A new 3D cobalt metal-organic framework [C_7H_(13)N_2]_2[(CH_3COO)_2Co_7(oba)_5-(Hoba)_2(OH)_2]·H_2O has been synthesized under ionothermal conditions and characterized by elemental analysis, FT-IR, XRD... A new 3D cobalt metal-organic framework [C_7H_(13)N_2]_2[(CH_3COO)_2Co_7(oba)_5-(Hoba)_2(OH)_2]·H_2O has been synthesized under ionothermal conditions and characterized by elemental analysis, FT-IR, XRD, and TG. This complex crystallizes in monoclinic system, space group P21/c with a = 19.4499(4), b = 10.8839(2), c = 27.7796(5) ?, β = 104.467(2)o, V = 5694.22(19) ?~3, Z = 2, C_(116)H_(92)Co_7N_4O_(42), M_r = 2626.45, D_c = 1.532 g/cm^3 , F(000) = 2682, μ = 1.085 mm-1, R = 0.0387 and wR = 0.1177. Its structure is characterized as a 3D open framework constructed by seven nuclear clusters [(CH_3COO)_Co_7(OH)_2] and the 4,4?-oxybisbenzoic acid ligand. The used ILs cations are located in the middle of the pore and compensate for the negative charges of framework. Furthermore, its fluorescence property has also been studied. 展开更多
关键词 cobalt complex ionothermal synthesis crystal structure fluorescence property
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Adsorption and photocatalytic degradation of bisphenol A using TiO2 and its separation by submerged hollowfiber ultrafiltration membrane
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作者 Jae-Wook Lee Tae-Ouk Kwon +1 位作者 Ramesh Thiruvenkatachari Il-Shik Moon 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2006年第1期193-200,共8页
This study evaluates the adsorption ability ofbisphenol A(BPA) on titanium dioxide(TiO2) and its effect on the photocatalysis by advanced oxidation process using UV radiation and TiO2 photocatalyst. Degradation of... This study evaluates the adsorption ability ofbisphenol A(BPA) on titanium dioxide(TiO2) and its effect on the photocatalysis by advanced oxidation process using UV radiation and TiO2 photocatalyst. Degradation of BPA was also evaluated for the system without adsorption prior to photocatalytic reaction. The separation of TiO2 from BPA solution treated by pilot-scale photocatalytic reactor (capacity 0.16 m^3) was studied using submerged ultrafiltration (UF) membrane. It was found that although adsorption capacity of BPA was not high, adsorption played an important role in improving the efficiency ofphotocatalysis. On the other hand, during the separation of TiO2 particles from aqueous suspension, the permeate flux of the membrane was strongly affected by transmembrane pressure and TiO2 dose. The permeate turbidity was decreased below 1 NTU. 展开更多
关键词 bisphenol A TIO2 ADSORPTION MEMBRANE PHOTOCATALYSIS
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Synthesis and Luminescent Properties of Cationic Ir(Ⅲ) Complexes of 2-Phenylquinoline Derivatives
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作者 童碧海 张业 +1 位作者 梅群波 张千峰 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第12期1787-1793,共7页
Two cationic iridium(Ⅲ) complexes, [(pqcm)2Ir(pybz)](PF6) (Ir1) and [(pqcm)2Ir(apybz)](PF6) (Ir2) (pqcmH = 2-phenyl-quinoline-4-carboxylic acid methyl ester, pybz = 2-pyridyl-benzimidazole, apybz =... Two cationic iridium(Ⅲ) complexes, [(pqcm)2Ir(pybz)](PF6) (Ir1) and [(pqcm)2Ir(apybz)](PF6) (Ir2) (pqcmH = 2-phenyl-quinoline-4-carboxylic acid methyl ester, pybz = 2-pyridyl-benzimidazole, apybz = 1-allyl-2-pyridyl-benzimidazole), were readily synthesized from the reaction of IrⅢ-μ-chloro-bridged dimer [Ir(pqcm)2(Cl)]2 and corresponding ancillary ligands, and characterized by NMR and mass spectroscopies. The structure of It2 was also confirmed by single-crystal X-ray diffraction. The photophysical properties of the two complexes were also investigated. Irl shows deep red emission peaked at around 652 nm with the phosphorescence quantum yield of ca. 0.29 and the emission lifetime of 233 ns, while Ir2 shows red emission peaked at around 615 nm with the phosphorescence quantum yield of ca. 0.13 and the emission lifetime of 430 ns. The active hydrogen on pybz ligand is believed to have a great influence on the photophysical properties of Ir1. 展开更多
关键词 photolumineseence iridium(Ⅲ) complex 2-phenylquinoline crystal structure
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Effects of Explicit and Implicit Solvent Models on the Hydrolysis Cleavage of N-Glycosidic Bond in 8-Oxo-7,8-dihydro-2'-deoxyguanosine
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作者 陈泽琴 何云清 +1 位作者 郭林峰 薛英 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第4期505-512,共8页
8-Oxoguanine (8-oxoG), a critical mutagenic DNA lesion induced by reactive oxy- gen species, gives rise to a G·C→T·A transversion during replication and thereby must be repaired. The effects of explicit a... 8-Oxoguanine (8-oxoG), a critical mutagenic DNA lesion induced by reactive oxy- gen species, gives rise to a G·C→T·A transversion during replication and thereby must be repaired. The effects of explicit and implicit solvent molecules on the hydrolysis cleavage of N-Glycosidic bond in 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxo-dG) have been systematically clarified in the present work based upon two types of computational models. Detailed potential energy surface (PES) scans and full unconstraint optimizations for all the representative points on PESs were carried out at the B3LYP/6-31+G(d) level of theory. The effect of implicit solvent was tested by single-point calculation at the SCRF/IEF-PCM model. The results illustrate that the direct hydrolysis model involving one explicit water molecule can’t provide a complete depiction of the hydrolysis process of 8-oxo-dG, attributed to the insufficiency of nucleophile activation and leaving group stabilization. The expansion hydrolysis model involving four explicit water molecules, however, facilitates discrete proton transfer and therefore produces smooth reaction surfaces for both the dissociative (SN1) and concerted (SN2) pathways. The presence of the implicit solvent substantially lowers all activation energies and the SN1 process is more favorable than the SN2 process. The data and insights present here agree well with the experimental results and have given out a baseline for the enzymatic deglycosylation reaction of 8-oxo-dG. 展开更多
关键词 8-oxo-7 8-dihydro-2'-deoxyguanosine hydrolysis mechanism
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Synthesis of Cu-Chromite Catalyzer by Citrate Sol-Gel
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作者 Pouresmaeily Seyed Mohammad Shahidzadeh Mansour +1 位作者 H. Shirkavand Behzad Ebrahimi Sobhan 《Open Journal of Synthesis Theory and Applications》 2017年第2期13-22,共10页
It has been introduced several ways for rising fuel burning rate. Using catalyzers is a common way to rising fuel burning rate. Cu-Chromite catalyzer used in solid fuels, as burning rate catalyzer in thermal decomposi... It has been introduced several ways for rising fuel burning rate. Using catalyzers is a common way to rising fuel burning rate. Cu-Chromite catalyzer used in solid fuels, as burning rate catalyzer in thermal decomposition of Ammonium Perchlorate and results were satisfying. This catalyzer is produced by several methods such as: ceramic, coprecipitating, sol-gel, vacuum depositioning, but this paper explains producing catalyzer by Citrate sol-gel. Thermal analysis is used for studying process also SEM, XRD, TEM, FTIR tests used for determination of particle sizes. 展开更多
关键词 Nano Cu-Chromite CITRATE SOL-GEL Catalyzer BURNING Rate CERAMIC Method
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Study of Cobalt Electrodeposition onto Stainless Steel Using Electrochemical Impedance Spectroscopy (IES)
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作者 Eric Marsalha Garcia Tulio Matencio +5 位作者 Rozana Zacarias Domingues Luana Marsalha Garcia Jacqueline Amanda Figueiredo dos Santos Narjara Ribeiro Hosane Aparacida Tar6ca Vanessa de Freitas Cunha Lins 《Journal of Physical Science and Application》 2012年第10期409-413,共5页
This paper describes the study of cobalt growth mechanism obtained by electrodeposition method with variation of pH solution. The electrochemical impedance spectroscopy (EIS) and scanning electronic microscopy (SEM... This paper describes the study of cobalt growth mechanism obtained by electrodeposition method with variation of pH solution. The electrochemical impedance spectroscopy (EIS) and scanning electronic microscopy (SEM) results were possible conclude that the cobalt electrodeposited at pH = 5.40 presented approximately an area three times larger than the cobalt electrodeposited at pH = 2.70. In addition, the cobalt electrodeposited at pH = 2.70 had a value of charge transfer resistance equal to 151.6 f2"cm2 and the cobalt electrodeposited at pH = 5.40 this value corresponds to 67.4 f2'cm. This occurs because the increased in micro-porosity increase the diffusion of electrolyte on cobalt electrodeposits easily the corrosion process. 展开更多
关键词 Cobalt electrodeposition electrochemical impedance spectroscopy.
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Plasma catalase,glutathione-s-transferase and total antioxidant activity levels of children with attention deficit and hyperactivity disorder
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作者 V.Kenan Celik Erdal Ersan +2 位作者 Serpil Ersan Sevtap Bakir Orhan Dogan 《Advances in Bioscience and Biotechnology》 2013年第2期183-187,共5页
Objective: In this study, we plan to measure plasma Catalase (CAT), Antioxidant Activity (AOA) and Glu- tathione-S-Transferase (GST) levels to understand whether oxidative stress develops or not and whether or not the... Objective: In this study, we plan to measure plasma Catalase (CAT), Antioxidant Activity (AOA) and Glu- tathione-S-Transferase (GST) levels to understand whether oxidative stress develops or not and whether or not the detoxification mechanism properly functions in children with Attention Deficit and Hyperactivity Disorder (ADHD) with unknown etiology and pathogenesis. Method and Results: Plasma CAT, AOA, and GST activities were spectrophotometrically measured in forty patients (average age 10.27 ± 2.54) and thirty-five (average age, 9.97 ± 2.59) healthy individuals as the control group. While the CAT activity showed no difference in the patient group (P > 0.05) compared to the control group, AOA and GST levels were found significantly meaningful (P = 0.001). Conclusion: In this pilot study ,the study shows that no oxidative stress develops in individuals with ADHD in high AOA and stable CAT activity, and that the de- toxification mechanism functions extremely in high GST activity. These findings need to be supported by other studies. 展开更多
关键词 ADHD CATALASE Antioxidant Activity Oxidative Stress GLUTATHIONE-S-TRANSFERASE
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New Triterpenes from Siyekucai (Ixeris chinensis) 被引量:13
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作者 Shu Jun ZHANG Jin Lan WANG +1 位作者 Qi Gang DENG Masayoshi ANDO 《Chinese Chemical Letters》 SCIE CAS CSCD 2006年第2期195-197,共3页
Three new triterpenes, 3β,21α-dihydroxylupen-18(19)-en (1), 3β,25-dihydroxytirucalla- 7,23(24)-dien (2), and 21α-hydroxy-19α-hydrogentaraxastero1-20(30)-en (3) were obtained from an ethyl acetate extr... Three new triterpenes, 3β,21α-dihydroxylupen-18(19)-en (1), 3β,25-dihydroxytirucalla- 7,23(24)-dien (2), and 21α-hydroxy-19α-hydrogentaraxastero1-20(30)-en (3) were obtained from an ethyl acetate extract of the whole plant of Siyekucai (Ixeris chinensis). The structures of 1-3 were determined by spectroscopic methods (EIMS, IR, 1D and 2D NMR). 展开更多
关键词 Ixeris chinensis trierpene 21α-dihydroxylupen-18(19)-en (1) 25-dihydroxy-tirucalla-7 23(24)-dien 21α-hydroxy-19α-hydrogentaraxastero1-20(30)-en.
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Uniform Rice-like CdS Particles Prepared from Water-in-oil Microemulsions 被引量:2
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作者 ZHOU Hai-cheng XU Sheng +1 位作者 PENG Qing LI Ya-dong 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2006年第1期11-13,共3页
Uniform rice-like CdS particles were synthesized in cyclohexane/Triton X-100/n-pentanol/water quaternary microemulsions. The as-prepared samples were characterized by X-ray diffraction, transmission electron microscop... Uniform rice-like CdS particles were synthesized in cyclohexane/Triton X-100/n-pentanol/water quaternary microemulsions. The as-prepared samples were characterized by X-ray diffraction, transmission electron microscopy, and electron diffraction. The results indicate that the size and the shape of the rice-like CdS particles can be influenced by the molar ratio of water to the surfactant(w value) and the reactant concentrations. 展开更多
关键词 W/O microemulsion Rice-like CdS nanoparticle Value of w Morphology
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Flexible Zn-ion batteries based on manganese oxides: Progress and prospect 被引量:6
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作者 Xingyuan Gao Haozhe Zhang +1 位作者 Xiaoqing Liu Xihong Lu 《Carbon Energy》 CAS 2020年第3期387-407,共21页
The ever-growing market of wearable electronic devices has greatly stimulated the rapid development of flexible Zn-ion batteries(ZIBs).Manganese oxides are one of the most commonly used hosts for zinc ion accommodatio... The ever-growing market of wearable electronic devices has greatly stimulated the rapid development of flexible Zn-ion batteries(ZIBs).Manganese oxides are one of the most commonly used hosts for zinc ion accommodation and thus receive particular research interest for high-performance flexible ZIB constructions.In this review,a comprehensive summary of the recent development of flexible ZIBs with manganese oxides as cathode materials is presented.Apart from the brief introduction of flexible electronic devices and ZIBs,the charge storage mechanisms and crystal structures of various manganese oxides are summarized.Modifications of the cathode materials in terms of morphology,conductivity,structures,and flexibilities are illustrated in detail,together with the demonstration of structure-performance relationships and applications in flexible ZIBs.Finally,limitations to be overcome are indicated and the future work directions are proposed. 展开更多
关键词 cathodes flexible devices manganese oxides MNO2 Zn-ion batteries
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Two New Complexes with the Same(3,8)-Connected tfz-d Topology Based on [Co4(μ3-OH)2] Clusters and Different Aromatic Multicarboxylic Acids 被引量:1
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作者 屠长征 缪娇娇 +3 位作者 侯能邦 陈广 李俊莉 杨玉亭 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第6期903-913,共11页
Two new metal-organic frameworks(MOFs), namely, [Co_2(L_1)(bix)(μ_3-OH)]·2H_2O(1) and [Co_2(L_2)(bix)(μ_3-OH)]·2.5H_2O(2)(H_3L_1 = 5-oxyacetate isophthalic acid, H_3L_2 = 3,5-bis-oxyacet... Two new metal-organic frameworks(MOFs), namely, [Co_2(L_1)(bix)(μ_3-OH)]·2H_2O(1) and [Co_2(L_2)(bix)(μ_3-OH)]·2.5H_2O(2)(H_3L_1 = 5-oxyacetate isophthalic acid, H_3L_2 = 3,5-bis-oxyacetate-benzoic acid, bix = 1,4-bis(imidazol-1-ylmethyl)benzene), have been synthesized under hydrothermal conditions. Their structures were determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, IR spectra, and powder X-ray diffraction(PXRD) analysis. Both complexes 1 and 2 demonstrate identical three-dimensional(3D)(3,8)-connected tfz-d nets with(4~3)_2(4~6·6^(18)·8~4) topologies, where the tetranuclear [Co_4(μ_3-OH)_2] clusters act as 8-connected nodes and aromatic multicarboxylic ligands as 3-connected nodes. The results show that the ligands with different geometrical conformations can form products with the same topological structures. Their thermal and magnetic properties were also investigated. 展开更多
关键词 Co(Ⅱ) cluster (3 8)-connected net crystal structure magnetic property
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Computational Screening of Pt1@Ti_(3)C_(2)T_(2)(T=O,S)MXene Catalysts for Water-Gas Shift Reaction 被引量:1
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作者 Yang Meng Haiyan Wang +2 位作者 Jin-Xia Liang Chun Zhu Jun Li 《Precision Chemistry》 2024年第2期70-80,共11页
Single-atom catalysts(SACs)provide an oppor-tunity to elucidate the catalytic mechanism of complex reactions in heterogeneous catalysis.The low-temperature water-gas shift(WGS)reaction is an important industrial techn... Single-atom catalysts(SACs)provide an oppor-tunity to elucidate the catalytic mechanism of complex reactions in heterogeneous catalysis.The low-temperature water-gas shift(WGS)reaction is an important industrial technology to obtain high purity hydrogen.Herein,we study the catalytic activity of Pt1@Ti_(3)C_(2)T_(2)(T=O,S)SACs,where one subsurface Ti atom with three T vacancies in the functionalized Ti_(3)C_(2)T_(2)(T=O,S)MXene is substituted by one Pt atom,for the low-temperature show that Pt1@Ti_(3)C_(2)T_(2)provides an excellent platform for the WGS reaction by its bowl-shaped vacancy derived from the Pt1 single atom and three T defects surrounding it.Especially,Pt1@Ti_(3)C_(2)S_(2)SAC has higher catalytic performance for the WGS reaction,due to the weaker electronegativity of the S atom than the O atom,which significantly reduces the energy barrier of H*migration in the WGS reaction,which is often the rate-determining step.In the most favorable redox mechanism of the WGS reaction on Pt1@Ti_(3)C_(2)S_(2),the rate-determining step is the dissociation of OH*into O*and H*with the energy barrier as low as 1.12 eV.These results demonstrate that Pt1@Ti_(3)C_(2)S_(2)is promising in the application of MXenes for low-temperature WGS reactions. 展开更多
关键词 single-atom catalyst(SAC) density functional theory(DFT) water gas shift(WGS)reaction defective MXene thermocatalysis
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Bio-inspired inorganic-protein coating on Mg-based biomaterials for bioengineering applications
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作者 Xuwen Peng Haolan Xu 《Science China Materials》 SCIE EI CAS CSCD 2024年第5期1678-1680,共3页
Developing smart and advanced functional materials inspired by the unparalleled complexity and efficiency of biological tissues has received much attention across various fields.Magnesium alloys,particularly pure magn... Developing smart and advanced functional materials inspired by the unparalleled complexity and efficiency of biological tissues has received much attention across various fields.Magnesium alloys,particularly pure magnesium,have emerged as notable candidates in orthopedics and dentistry due to their exceptional biocompatibility,degradability,and ability to promote bone regeneration[1].However,the highly reactive chemical nature of magnesium and its rapid degradation upon exposure to water. 展开更多
关键词 coating ALLOYS MAGNESIUM
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Layered perovskite oxide Y_(0.8)Ca_(0.2)BaCoFeO_(5+δ) as a novel cathode material for intermediate-temperature solid oxide fuel cells 被引量:3
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作者 余良浩 陈永红 +4 位作者 顾庆文 田冬 卢肖永 孟广耀 林彬 《Journal of Rare Earths》 SCIE EI CAS CSCD 2015年第5期519-523,共5页
A layered perovskite oxide Y0.8Ca0.2BaCoFeO5+δ(YCBCF) was synthesized as a novel cathode material for intermedi-ate-temperature solid oxide fuel cells (IT-SOFCs) by citric acid-nitrates self-propagating combusti... A layered perovskite oxide Y0.8Ca0.2BaCoFeO5+δ(YCBCF) was synthesized as a novel cathode material for intermedi-ate-temperature solid oxide fuel cells (IT-SOFCs) by citric acid-nitrates self-propagating combustion method. The phase and micro-structure of YCBCF were investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The aver-age thermal expansion coefficient (TEC) of YCBCF was 14.6×10–6 K–1, which was close to other materials of SOFC at the range of RT–1000 oC. An open-circuit potential of 0.75 V and a maximum output power density of 426 mW/cm2 were obtained at 650 oC in a Sm0.2Ce0.8O1.9 (SDC)-based anode-supported SOFC by using humidified (~3%H2O) hydrogen as fuel and static air as oxidant. The results indicated that the YCBCF was a promising cathode candidate for IT-SOFCs. 展开更多
关键词 solid oxide fuel cell CATHODE PEROVSKITE Sm0.2Ce0.8O1.9 rare earths
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Picomolar inhibitor of reverse transcriptase featuring significantly improved metabolic stability 被引量:2
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作者 Ya-Li Sang Christophe Pannecouque +2 位作者 Erik De Clercq Shuai Wang Fen-Er Chen 《Acta Pharmaceutica Sinica B》 SCIE CAS CSCD 2023年第7期3054-3066,共13页
Considering the undesirable metabolic stability of our recently identified NNRTI 5(t1/2=96 min)in human liver microsomes,we directed our efforts to improve its metabolic stability by introducing a new favorable hydrox... Considering the undesirable metabolic stability of our recently identified NNRTI 5(t1/2=96 min)in human liver microsomes,we directed our efforts to improve its metabolic stability by introducing a new favorable hydroxymethyl side chain to the C-5 position of pyrimidine.This strategy provided a series of novel methylol-biphenyl-diarylpyrimidines with excellent anti-HIV-1 activity.The best compound 9g was endowed with remarkably improved metabolic stability in human liver microsomes(t1/2=2754 min),which was about 29-fold longer than that of 5(t1/2=96 min).This compound conferred picomolar inhibition of WT HIV-1(EC50=0.9 nmol/L)and low nanomolar activity against five clinically drug-resistant mutant strains.It maintained particularly low cytotoxicity(CC50=264μmol/L)and good selectivity(SI=256,438).Molecular docking studies revealed that compound 9g exhibited a more stable conformation than 5 due to the newly constructed hydrogen bond of the hydroxymethyl group with E138.Also,compound 9g was characterized by good safety profiles.It displayed no apparent inhibition of CYP enzymes and h ERG.The acute toxicity assay did not cause death and pathological damage in mice at a single dose of 2 g/kg.These findings paved the way for the discovery and development of new-generation anti-HIV-1 drugs. 展开更多
关键词 NNRTI HIV-1 DAPYs Picomolar Metabolic stability
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