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SCRIPTA MATERIALIA · 2019 · IF 4.539

Role of ion substitution and lattice water in the densification of cold-sintered hydroxyapatite

Hui-Zhen Shen,Ning Guo,Liang Zhao,Ping Shen

High-density hydroxyapatite (HA) compacts were achieved by cold sintering of co-precipitated powders at temperatures lower than 200 °C without addition of any solvent. Critical factors affecting the densification behavior including the source of powders, the type of solvent, applied pressure, sintering temperature and time were investigated. The presence of lattice water together with ion substitution in the co-precipitated HA powders has a significant effect on the densification. A novel viewpoint that is essentially different from classical dissolution−precipitation mechanism in cold sintering was proposed; i.e., the formation of hydrogen bonds between the HA particles plays a critical role in the densification.

CAS / MDL: 7647-01-0
研究领域: 材料科学 · 生物医学工程
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JOURNAL OF MOLECULAR STRUCTURE · 2021 · IF 3.196

Lattice water provides hydrogen atom donor to form hydrate: A case study of chlorbipram: m-hydroxybenzoic acid (1:1) cocrystal

Dandan Huang,Dezhi Yang,Yang Lv,Jianle Zhou,Liang Li,Jiangping Xu,Xuemei Yang,Zhengzheng Zhou

Cocrystal hydrate accounts for a small percentage of cocrystals of poorly water-soluble drugs, and still lack the explanation on its cause of formation. In this study, a cocrystal hydrate with a novel phosphodiesterase-4 (PDE-4) inhibitor, chlorbipram, is prepared and characterized using multi-techniques. The dissolution behavior, ternary phase diagram and theoretical calculations are further performed and discussed. Chlorbipram: m-Hydroxybenzoic acid (ChBP-MHBA, 1: 1) cocrystal hydrate presents approximate equivalent dissolution (1.61 mg/mL) in comparison with ChBP (1.90 mg/mL) in isopropanol/water (1: 1, v/v) solution. Ternary phase diagram plotted in ethyl acetate solvent suggests that ChBP-MHBA cocrystal hydrate has an optimum mass percentage range from (2.91%: 2.64%: 94.45%) to (3.20%: 10.74%: 86.06%) among ChBP, MHBA and ethyl acetate. There are two lattice waters in each unit cell of ChBP-MHBA cocrystal hydrate, accounting for 4.5% proportion of the cell volume using contact surface calculations. Molecular Electrostatic Potential Surface (MEPS) investigations indicate that the strong hydrogen bonds are formed within the cocrystal lattice, which are between the global minimum values of ChBP/MHBA and the global maximum values of lattice water. In summary, lattice water plays an important role in the formation of cocrystal hydrate, providing hydrogen atom donor and forming hydrogen bonds to support its three-dimensional crystal structure.

CAS / MDL: 29674-47-3
研究领域: 药物化学 · 晶体学 · 药剂学
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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

Low-cost, low-strain and lattice-water-rich Mn0.25(VO)0.75PO4·2.25H2O as high-rate and stable cathodes for aqueous Zn-ion batteries

Jingdong Guo,Weibing Ma,Zhiyuan Sang,Xueqi Zhang,Ji Liang,Feng Hou,Wenping Si,Song Wang,De'an Yang

Aqueous zinc‐ion batteries (ZIBs) have become a promising alternative to lithium-ion batteries (LIBs) for grid‐scale energy storage. However, the bivalent nature and large radius of zinc hydrated ions commonly lead to a strong electrostatic interaction with the host lattice and a huge strain feature during zinc-ion insertion, which results in slow diffusion kinetics and poor cycling stability. Herein, a lattice-water-rich V-based polyanionic cathode, named Mn 0.25 (VO) 0.75 PO 4 ·2.25H 2 O (MnVP), is mass-producible and in which the sufficient lattice water weakens the electrostatic interactions and facilitates the rapid Zn 2+ migration kinetics. The introduced Mn 3+ ions partially replaced the V elements, which made the crystal structure more stable during the cycle. Besides, the doping of inactive Mn 3+ can introduce the crystal water, which lower the stress and strain of the host lattice during zinc-ion insertion. Thus, the MnVP cathode delivers a high specific capacity (207.7 mAh g −1 at 0.1 A g −1 ), excellent rate capability (93.5% retention at 5 A g −1 ) and long cycle durability (after 700 cycles with a capacity retention of 88.4 %). Furthermore, the simple preparation and low cost make this cathode expect to be used in large‐scale energy storage systems.

CAS / MDL: 67-63-0 7664-38-2
研究领域: 材料科学 · 电化学
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CATALYSIS COMMUNICATIONS · 2020 · IF 3.612

Lattice-water-induced acid sites in tungsten oxide hydrate for catalyzing fructose dehydration

Haolin Sun,Fei Song,Chunmei Zhou,Xiaoyue Wan,Yuguang Jin,Yihu Dai,Jianwei Zheng,Siyu Yao,Yanhui Yang

Herein, hydrated WO 3 was synthesized by hydrothermal method, and the relationship between its structure and acidity was explored. The numbers of Brønsted acid sites (BAS) and Lewis acid sites (LAS) can be modulated by adjusting the lattice water content of WO 3 ·nH 2 O. Mechanism studies shown that the density of BAS and diffusion effect have a synergistic effect on the activity of dehydration reaction. The optimized WO 3 ·0.5H 2 O catalyst in the presence of both high BAS density and high BAS accessibility afforded 73% 5-hydroxymethylfurfural (HMF) yield, and almost no deactivation appeared after five cycles. Nearly twice higher turnover frequency (TOF) and 50% higher HMF selectivity were observed in comparison to anhydrous WO 3 .

研究领域: 催化化学 · 材料科学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Design of high-performance proton batteries by reducing interstitial water molecules in copper-iron Prussian analogues

Yu-Hao Chen,Hao-Tian Guo,Bing-Chen Liu,Jing Li,Zong-Lin Liu,Peng-Fei Wang,Yan-Rong Zhu,Ting-Feng Yi

Prussian blue analogues (PBAs) are considered to be a potentially beneficial cathode material in proton batteries. Among them, Cu,Fe based-Turnbull’s blue analogue (CuFe-TBA) stands out in proton batteries because of its unique crystal structure and continuous hydrogen bond lattice network, which promotes the Grotthuss mechanism and enhances the reaction kinetics of proton conduction. However, in the process of preparing CuFe-TBA by co-precipitation method, the crystal water content of the product cannot be controlled, and excessive lattice water will affect the cycle stability. To solve these problems, we employ a chemical inhibition strategy using polyvinylpyrrolidone (PVP) to regulate the nucleation and crystal growth rate of CuFe-TBA. This strategy effectively reduces the crystalline water content, thereby ensuring that the PBAs remain electrically conductive while maintaining their electrochemical stability and safety over the operating voltage range. The appropriate amount of PVP modified CuFe-TBA (CuFe-TBA-PVP-3) has the characteristics of large specific surface area and moderate crystal water and has high discharge specific capacity and long cycle stability. CuFe-TBA-PVP-3 shows the high specific capacity of 80.9mAh g −1 at a current density of 0.1 A g −1 , demonstrating exceptional charge/discharge specific capacity. Furthermore, the capacity retention rate is 91.23 % at 5 A g −1 after 50,000 cycles. Therefore, CuFe-TBA-PVP-3 provides new insights and directions for the development of next-generation aqueous proton batteries.

研究领域: 材料科学 · 电化学
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INTERNATIONAL JOURNAL OF ENERGY RESEARCH · 2021 ·Vol. 45 ·期 10 ·14870-14878 · IF 5.164

Lattice water removal from nickel–cobalt Prussian blue analogues by polyaniline coating for flexible sodium ion supercapacitor devices

Ruyue Bai,Pengpeng Chen,Shaohua Zeng,Yifeng Zhou,Wangyan Nie,Ying Xu

Summary A new method to improve the performance of Prussian blue sodium ion supercapacitors by polyaniline coating is presented. The conducting mechanism of polyaniline film facilitates small water molecules transforming between benzene structure and quinone structure of polyaniline, which minimizes lattice water content of NiCo–Prussian blue analogues materials. The polyaniline-coated NiCo–Prussian blue analogues are loaded on carbon sponge material to assemble flexible supercapacitors. The specific capacity of 118.2 F g −1 , energy density of 32 Wh kg −1 , and power density of 6.23 kW kg −1 are obtained on NiCoPBA@PANI-1@CS//AC device, which are much greater than those of NiCoPBA@CS//AC without polyaniline coating.

研究领域: 材料科学 · 电化学
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Journal of Energy Chemistry · 2024 · IF 14

Synergism of preintercalated manganese ions and lattice water in vanadium oxide cathodes for high-capacity and long-life Zn-ion batteries

Mengjing Wu,Rongrong Li,Kai Yang,Lijiang Yin,Weikang Hu,Xiong Pu

Aqueous Zn-ion batteries (AZIBs) are recognized as a promising energy storage system with intrinsic safety and low cost, but its applications still rely on the design of high-capacity and stable-cycling cathode materials. In this work, we present an intercalation mechanism-based cathode materials for AZIB, i.e. the vanadium oxide with pre-intercalated manganese ions and lattice water (noted as MVOH). The synergistic effect between Mn 2+ and lattice H 2 O not only expands the interlayer spacing, but also significantly enhances the structural stability. Systematic in-situ and ex-situ characterizations clarify the Zn 2+ /H + co–(de)intercalation mechanism of MVOH in aqueous electrolyte. The demonstrated remarkable structure stability, excellent kinetic behaviors and ion-storage mechanism together enable the MVOH to demonstrate satisfactory specific capacity of 450 mA h g −1 at 0.2 A g −1 , excellent rate performance of 288.8 mA h g −1 at 10 A g −1 and long cycle life over 20,000 cycles at 5 A g −1 . This work provides a practical cathode material, and contributes to the understanding of the ion-intercalation mechanism and structural evolution of the vanadium-based cathode for AZIBs.

CAS / MDL: 10034-96-5 54010-75-2
研究领域: 材料科学 · 能源存储 · 电化学
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Chem · 2019 · IF 18.205

Vanadium Oxide Pillared by Interlayer Mg2+ Ions and Water as Ultralong-Life Cathodes for Magnesium-Ion Batteries

Yanan Xu,Xuanwei Deng,Qidong Li,Guobin Zhang,Fangyu Xiong,Shuangshuang Tan,Qiulong Wei,Jun Lu,Jiantao Li,Qinyou An,Liqiang Mai

Magnesium-ion batteries (MIBs) show great potential for large-scale energy storage because of the advantages of low cost and safety, but their application is severely hindered by the difficulty in finding desirable electrode materials. Herein, we develop a bilayer-structured vanadium oxide (Mg 0.3 V 2 O 5 ·1.1H 2 O) with synergistic effect of Mg 2+ ions and lattice water as the cathode material for MIBs. The pre-intercalated Mg 2+ ions provide high electronic conductivity and excellent structural stability. The lattice water enables fast Mg 2+ ions mobility because of its charge shielding effect. As a result, the Mg 0.3 V 2 O 5 ·1.1H 2 O exhibits excellent rate performance and an unprecedented cycling life with capacity retention of 80.0% after 10,000 cycles. In addition, the Mg 0.3 V 2 O 5 ·1.1H 2 O exhibits good electrochemical performance in full MIBs. This scalable Mg 2+ host material is a promising candidate as a cathode for MIBs, and its high performance is expected to meet the requirements for large-scale storage applications.

研究领域: 储能 · 材料科学 · 电化学 · 电池技术
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