JOURNAL OF THE ELECTROCHEMICAL SOCIETY
·
2020
·Vol. 167
·期 11
·113505
·
IF 3.721
Yuan Yuan,Dan Zhang,Feihu Zhang,Chunhui Yang,Yang Gan
Electropolishing of aluminum (Al) has been applied to form surface nanopatterns of various morphologies and sizes. However, the effect of crystallographic orientation on nanopattern morphology and size in electropolished Al is unclear. Here, annealed polycrystalline and monocrystalline Al samples were electropolished at 40 V in an electrolyte of perchloric acid, ethanol, butyl cellusolve and water, the correlation between crystallographic orientation and nanopattern morphology and size was firmly established through systematic EBSD and SEM examination. Heterogeneity in nanopattern morphology and nanopattern size is induced by crystallographic anisotropy of grains. Nanopattern morphology and size change gradually for grains and planes oriented with varying misorientation angles against each primary direction [101]//ND, [101]//ND and [111]//ND. The transitions between nanopattern morphologies also occur for grain surface planes with near identical misorientation angles. The surface structure sensitivity of nanopattern morphology and size was firmly established and then qualitatively explained by invoking step-terrace and step-ledge surface structure models and by developing a refined adsorption-diffusion perspective based on a reported theoretical model. The findings reported here contribute significantly to gaining new insights into the crystallographic orientation dependence of nanopattern morphology and nanopattern size in electropolished Al and other metals.
研究领域:
材料科学
·
表面工程
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DOI
高影响因子
ADVANCED MATERIALS
·
2022
·Vol. 35
·期 9
·2209985
·
IF 32.086
Zhimeng Hao,Yufeng Zhang,Zhenkun Hao,Geng Li,Yong Lu,Song Jin,Gaojing Yang,Sihan Zhang,Zhenhua Yan,Qing Zhao,Jun Chen
The ever-growing annual electricity generated from sustainable and intermittent energy such as wind and solar power requires cost effective and reliable electrochemical energy storage. Rechargeable batteries based on multivalent metal anodes such as Zn, Al, and Fe, taking advantage of large-scale production and affordable cost, have emerged as promising candidates. However, the uncontrollable dendrite-like metal deposition on regular substrate caused by disordered metal crystallization usually leads to premature failure of batteries and even safety concerns when the dendrite bridges the electrodes. Here it is reported that a series of metal anodes (Zn, Co, Al, Ni, and Fe) with multiple crystal structures (hexagonal close-packed, face-centered cubic, and body-centered cubic) can achieve dendrite-free and epitaxial deposition on single-crystal Cu(111) substrates enabled by the closest packing crystallography. Moreover, the closest packed facets are aligned horizontally with the substrates, resulting in compact planar construction and excellent chemical stability even at an unprecedented current density of 1 A cm −2 . The full cells under a practical anode-to-cathode capacity ratio of 2.3 show a cycling life span of over 800 cycles with Coulombic efficiency of > 99.9%. The universal approach of regulating metal electrodeposition in this work is expected to boost the development of emerging sustainable energy storage/conversion devices.
研究领域:
材料科学
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电化学
·
能源存储
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产品关联
DOI
PubMed
高影响因子
CERAMICS INTERNATIONAL
·
2021
·
IF 4.527
Liang Shi,Xueying Wang,Rui Peng,Gang Wang,Cheng Liu,Xiaolei Shi,Dainan Zhang,Huaiwu Zhang
Ni 2+ modified MgTa 2 O 6 ceramics with a trirutile phase and space group P4 2 /mnm were obtained. The correlations between crystallographic characteristics and microwave dielectric performance of MgTa 2 O 6 ceramics were systematically studied based on the chemistry bond theory (PVL theory) for the first time. The results indicate that the introduction of Ni 2+ causes a change in polarizability and the Mg–O bond ionicity, which contributes to the variation of dielectric constant. Moreover, the lattice energy, and packing fraction, full width at half maximum of the Raman peak of Ta–O bond, as the quantitative characterization of crystallographic parameters, regulate the dielectric loss of MgTa 2 O 6 ceramics in GHz frequency band. In addition, the study of sintering behavior shows that the densification and micromorphology are the crucial factors affecting the microwave dielectric performance. Typically, Ni 2+ doping on the A-site of MgTa 2 O 6 can effectively promote the Q × f values to 173,000 GHz (at 7.43 GHz), which ensures its applicability in 5G communication technology.
研究领域:
材料科学
·
物理学
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产品关联
DOI
高影响因子
Inorganics
·
2023
·Vol. 11
·期 11
·422
·
IF 2.9
Yunpeng Xia,Yi Shen,Yang-Rong Yao,Qingyu Meng,Ning Chen
A novel Non-Isolated-Pentagon-Rule (non-IPR) isomer of thorium-based endohedral mono-metallofullerenes (mono-EMFs), Th@C1(17418)-C76, was successfully synthesized and characterized using MALDI-TOF mass spectroscopy, single-crystal X-ray diffraction, UV-vis-NIR spectroscopy, and Raman spectroscopy. The molecular structure of this non-IPR isomer was determined unambiguously as Th@C1(17418)-C76using a single-crystal X-ray diffraction analysis. The crystallographic results further revealed that the optimal Th site resided at the intersection of two adjacent pentagons, similar to that of U@C1(17418)-C76. Additionally, the UV-vis-NIR spectra of Th@C1(17418)-C76exhibited distinct differences compared to the previously reported U@C1(17418)-C76, highlighting the distinctive electronic structure of actinium-based endohedral metallofullerenes (EMFs). The Raman spectrum of Th@C1(17418)-C76exhibited similarities to that previously reported for thorium-based EMFs, indicating the analogous strong metal–cage interactions of thorium-based EMFs.Keywords:endohedral metallofullerenes;mono-metallofullerenes;thorium;X-ray crystallography
研究领域:
化学
·
材料科学
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纳米技术
✓ 已验证
产品关联
DOI
高影响因子
Inorganics
·
2023
·Vol. 11
·期 8
·323
·
IF 2.9
Huichao Zhang,Jinpeng Xin,Huaimin Jin,Wenhao Xiang,Muqing Chen,Yang-Rong Yao,Shangfeng Yang
Metal cyanide clusterfullerenes (CYCFs) are formed via the encapsulation of a single metal atom and a cyanide unit inside fullerene cages, endowing them with excellent properties in various applications. In this work, we report the synthesis, isolation, and characterizations of the first cases of thulium (Tm)-based CYCFs with the popular C82carbon cages. The structural elucidation of the two TmCN@C82isomers was achieved via diverse analytical techniques, including mass spectrometry, Vis-NIR spectroscopy, single-crystal X-ray crystallography, and cyclic voltammetry. The crystallographic analyses unambiguously confirmed the molecular structures of the two TmCN@C82isomers as TmCN@Cs(6)-C82and TmCN@C2v(9)-C82. Both TmCN clusters adopt a well-established triangular configuration, with the Tm ion located on the symmetrical plane of the carbon cages. The electronic structures of both TmCN@C82isomers adopt a Tm3+(CN)−@(C82)2−configuration, exhibiting characteristic spectral and electrochemical properties reminiscent of divalent endohedral metallofullerenes (EMFs). Intriguingly, unlike the divalent Tm2+ion observed in the mono-metallofullerenes Tm@C2n, a higher oxidation state of Tm3+is identified in the monometallic TmCN cluster due to bonding with the cyanide anion. This result provides valuable insight into the essential role of the non-metallic endo-units in governing the oxidation state of the metal ion and the electronic behaviors of EMFs.Keywords:endohedral metallofullerenes;cyanide clusterfullerenes;thulium;X-ray crystallography
研究领域:
材料科学
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化学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Advanced Ceramics
·
2013
·Vol. 2
·期 2
·193-200
·
IF 0
Wang Qian,Grasso Salvatore,Hu Chunfeng,Zhang Haibin,Cai Shu,Sakka Yoshio,Huang Qing
Single-phase Y 4 Al 2 O 9 (YAM) powders were synthesized via solid-state reaction starting from nano-sized Al 2 O 3 and Y 2 O 3 . Fully dense (99.5%) bulk YAM ceramics were consolidated by spark plasma sintering (SPS) at 1800 °C. We demonstrated the excellent damage tolerance and good machinability of YAM ceramics. Such properties are attributed to the easy slipping along the weakly bonded crystallographic planes, resulting in multiple energy dissipation mechanisms such as transgranular fracture, shear slipping and localized grain crushing.
研究领域:
材料科学
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陶瓷工程
✓ 已验证
产品关联
DOI
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2023
·
IF 3.4
Yuzhu Chai,Erlong Zhang,Zhuoer Cai,Dan Xu,Chunxia Zhu,Baiwang Sun
Letermovir is a cytomegalovirus inhibitor for cytomegalovirus infection a hematopoietic-cell transplantation. In the degradation test of Letermovir, five new impurities were detected at levels of ND ∼ 2.21 % (by oxide, thermal or photolytic). These impurities were synthesized directly, characterized and identified by HRMS NMR spectra and X-ray crystallography. Then co-injected with commercial products to confirm their retention times in HPLC . The possible formation pathways and synthetic methods of these impurities were discussed in details. Furthermore, the toxicological properties of impurities were evaluated by ACD/Percepta 14.52.0 (Build 3525) software.
研究领域:
药学
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分析化学
·
毒理学
✓ 已验证
DOI
PubMed
高影响因子
Nature Communications
·
2015
·Vol. 6
·期 1
·1-7
·
IF 11.47
Tian Shubo,Li Yi-Zhi,Li Man-Bo,Yuan Jinyun,Yang Jinlong,Wu Zhikun,Jin Rongchao
Revealing structural isomerism in nanoparticles using single-crystal X-ray crystallography remains a largely unresolved task, although it has been theoretically predicted with some experimental clues. Here we report a pair of structural isomers, Au 38T and Au 38Q , as evidenced using electrospray ionization mass spectrometry, X-ray photoelectron spectroscopy, thermogravimetric analysis and indisputable single-crystal X-ray crystallography. The two isomers show different optical and catalytic properties, and differences in stability. In addition, the less stable Au 38T can be irreversibly transformed to the more stable Au 38Q at 50 °C in toluene. This work may represent an important advance in revealing structural isomerism at the nanoscale.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Small
·
2020
·Vol. 17
·期 27
·1907114
·
IF 11.459
Qinzhen Li,Jinsong Chai,Sha Yang,Yongbo Song,Tao Chen,Cheng Chen,Hui Zhang,Haizhu Yu,Manzhou Zhu
Thiolate-protected nanoclusters with different charge states usually show similar structure frameworks but different electronic configurations, which are proved to dramatically affect their properties such as magnetism, photoluminescence, and catalytic activity. Until now, few nanoclusters with alterable charge states have been reported and only some of them are structurally solved, limiting the in-depth studies on their interesting properties. Here, a new Au Cu alloy nanocluster [Au 18 Cu 32 (SPhCl) 36 ] 2− (HSPhCl = 4-chlorophenylthiophenol) is synthesized and structurally solved by X-ray crystallography. Interestingly, it is found that this nanocluster can be reduced to another nanocluster with a different charge state, that is, [Au 18 Cu 32 (SPhCl) 36 ] 3− . This change in charge states is clearly proved by X-ray crystallography, electrospray ionization mass spectrometry, thermogravimetric analysis, and electron paramagnetic resonance. Furthermore, several redox methods are carried out to realize the reversible interconversion between these two nanoclusters, including electrochemical redox, introduction of H 2 O 2 /NaBH 4 , and oxidation with silica under air atmosphere. This work offers new insight into the transform progress of charge states with Au Cu alloy nanoclusters which contributes to the understanding of the relationship between electronic structure and properties of nanoclusters and further development of Au Cu nanoclusters with excellent performance.
研究领域:
材料科学
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化学
✓ 已验证
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2022
·Vol. 9
·期 10
·2264-2270
·
IF 7.779
Pengwei Yu,Mengyang Li,Wangqiang Shen,Shuaifeng Hu,Peng-Yuan Yu,Xinyue Tian,Xiang Zhao,Lipiao Bao,Xing Lu
Two Lu2O@C80 isomers have been successfully isolated and unambiguously assigned as Lu2O@C1(31876)-C80 and Lu2O@C2v(5)-C80, respectively, by X-ray crystallography. Interestingly, C1(31876)-C80 is an unprecedented cage with a pair of adjacent pentagons, which can be closely connected with C2v(5)-C80via a two-step Stone–Wales transformation. More importantly, the C1(31876)-C80 cage is a key point in the transformation map of oxide cluster fullerenes, filling the vacancy in the formation process.
研究领域:
材料科学
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化学
·
纳米技术
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2016
·
IF 3.926
Xiao-Fei Gu,Yue Zhao,Kan Li,Meng-Xiang Su,Fang Yan,Bo Li,Ying-Xiang Du,Bin Di
Structure elucidation of volatile aromatic isomers at trace level has long been considered as an elusive task, due to their structural similarities and similar polarities, even with the aid of many spectroscopic techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. Single-crystal X-ray diffraction (SCD) is recognized as one of the most powerful structural elucidation techniques. The recently developed crystalline sponge method overcomes the intrinsic limitation of SCD that the target molecules must be single crystals, being able to analyze non-crystalline and trace-amount compounds without any special treatment. In order to investigate whether the crystalline sponge method could be used for the structure elucidation of closely related isomers or other volatile and even oily compounds in complex mixtures at trace level, we combined HPLC separation with the crystalline sponge method for X-ray crystallographic analysis. In this paper, two pairs of volatile aromatic isomers including cis / trans isomers of asarone and positional isomers of carvacrol and thymol, as well as the main volatile component in essential oil extracted from Acorus Tatarinowii , were first isolated by HPLC and encapsulated into the crystalline sponge then elucidated by X-ray crystallographic analysis. Direct observation of these volatile compounds by X-ray crystallography was achieved using only microgram quantities without crystallization or derivatization. Unambiguous identification of these compounds was realized without reference standards. This strategy offers a promising platform capable of providing high-confidence detailed structural information of closely related isomers as well as other volatile and even oily compounds in complex mixtures in microgram quantities.
研究领域:
分析化学
·
晶体学
·
药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Nature Chemistry
·
2025
·
IF 20.2
Jiang Hongjie,Zhao Jing,Meng Qingyu,Zhao Xiao-Kun,Guo Min,Hu Han-Shi,Li Jun,Chen Ning
Metal–ligand multiple bonds are ubiquitous in coordination and organometallic chemistry. In contrast, lanthanide–carbon multiple bonds are difficult to form. The isolation of complexes containing lanthanide–carbon double bonds with terminal methyl carbene (=CH 2 ) and lanthanide–carbon triple bonds remains challenging. Here we present the synthesis of a lanthanide–carbon triple bond contained inside an endohedral fullerene cage. More specifically, we report a cerium–carbide [Ce≡CSc 2 ] cluster encapsulated inside a C 80 fullerene cage. The molecular structure of Ce≡CSc 2 @C 80 and the nature of the Ce≡C triple bond are studied through X-ray crystallography, spectroscopic analyses and quantum chemical calculations. Our data reveal a very short Ce≡C distance of 1.969(7) Å. Chemical bonding analysis suggests that the formation of the Ce≡C bond primarily arises from the stronger bonding affinity between carbon and cerium compared with scandium inside the encapsulated cluster. The fullerene cage plays a crucial role in stabilizing and protecting this trimetallic carbide cluster featuring a Ce≡C triple bond.
研究领域:
无机化学
·
有机金属化学
·
材料科学
·
物理化学
·
纳米技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）