CRYSTAL GROWTH & DESIGN
·
2024
·
IF 3.2
Ronghua Peng,Xueyou Qin,Jiawei Lin,Lingyu Wang,Songgu Wu,Junbo Gong
We designed a solvent mixture composed of carboxylic acid solvents and water as the crystallization medium for the selective preparation of three distinct γ-aminobutyric acid (GABA) conformational polymorphs (Form-I, Form-II, and the newly discovered Form-IV). By adjusting the carbon chain length and content of carboxylic acid solvents, we were able to finely tune the solvation environment, leading to the formation of the desired polymorphs. Crash-cooling crystallization experiments demonstrated that with the carbon chain length (C1–C6) and content (0–30%) of carboxylic acid increasing, the polymorphic outcomes gradually change from Form-I to Form-II and ultimately to Form-IV. Interestingly, four different conformations were observed within these three polymorphs. DFT calculation indicated that the stability order of these conformations is conformer-IVβ > conformer-IVα > conformer-II > conformer-I. Based on solution FTIR analysis and solvation free energy calculation, the solvation effect on GABA molecules diminishes with an increasing carbon chain length and content of carboxylic acid solvents. A lower solvation effect makes the desolvation process of GABA molecules much easier so that GABA molecules can undergo sufficient conformational rearrangement during the nucleation stage, thereby adopting a more stable conformation during the molecular assembly process. In this crystallization conditions, Form-IV with a more stable conformation in its crystal structure has the potential to replace Form-II and Form-I through preferential crystallization.
研究领域:
化学
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材料科学
·
药物学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Shouze Li,Zhou Li,Dongyan Xu,Run Hu
Emerging thermocells exhibit a significant potential in low-grade heat harvesting owe to their high mV-scale thermopower, low cost, and high robustness. Fundamentally, three effects contribute to the thermopower enhancement of liquid thermocells, i.e. original concentration effect, solvation effect, and normalized concentration gradient effect. Yet, the contribution of the solvation effects and the normalized concentration gradient in organic solvents remains a subject of debate. In this paper, we integrate experiments, spectral analysis, and electrochemical theory to demonstrate that the normalized concentration gradient dominates the enhancement of thermopower in the investigated organic solvents, whereas the solvation effect is weak. Further, the introduction of ethanol results in a thermosensitive solubility of K 4 Fe(CN) 6 and a minimal concentration at the cold end, which establishes a huge substantial normalized Fe(CN) 6 4- concentration gradient and increases the Seebeck coefficient to 3.4 mV/K. Simultaneously, the precipitation resulting from the introduction of an organic solvent notably diminishes the heat convection within the system. As a result, the optimized TC-35EtOH system yields a ZT value (0.094) and Carnot-relative efficiency (2.52 %) that are 7 times greater than those of its initial counterpart. Additionally, the system’s high power density of 3.64 W/m 2 suggests its potential for harnessing low-grade heat waste energy.
研究领域:
物理化学
·
能源材料科学
✓ 已验证
DOI
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2022
·Vol. 33
·期 5
·2210343
·
IF 19.924
Qiuchen Xu,Shitao Geng,Bin Yuan,Meng Liao,Lei Ye,Xiaoju Zhao,Yan Wang,Xiao Zhang,Shuo Wang,Zongtao Qu,Han Miao,Zhibin Yang,Yue Gao,Bingjie Wang,Yongfeng Zhou,Huisheng Peng,Hao Sun
Lithium/thionyl chloride (Li/SOCl 2 ) primary batteries are appealing power solutions because of their remarkable electrochemical performances. However, their mass applications are hindered by the challenges in sustainability, cost and safety concerns owing to the employed Li chemistry. Here, magnesium (Mg) chemistry is shown as a promising alternative through synergistic optimization of electrolyte solvation and electrode reaction kinetics. The first Mg/SOCl 2 primary battery yields surprisingly high specific capacities up to ≈14 000 mAh g −1 at a decent discharge voltage of ≈1.67 V, which outperforms the state-of-the-art Mg-based primary batteries. In addition, it retains almost 100% of the original capacity after 20-day reservation. The impressive battery performances are originated from the stabilized MgCl 2 formation on high-surface-area carbon cathode and suppressed Mg anode corrosion via the Mg-induced solvation effect. Mg/SOCl 2 primary batteries are promising candidates for low-cost and recyclable power supplies, and they thus open new avenues for the development of sustainable battery chemistries.
研究领域:
材料科学
·
能源化学
✓ 已验证
DOI
高影响因子
Analytical Methods
·
2024
·Vol. 16
·期 15
·2301-2310
·
IF 2.7
Yang Cheng,Yuan Liu,Jiguang Li,Yudong Li,Da Lei,Dezhong Li,Xincun Dou
Highly efficient detection of environmental residual potentially toxic species is of concern worldwide as their presence in an excessive amount would greatly endanger the health of human beings as well as environmental sustainability. The solvation effect is a critical factor to be considered for understanding chemical reaction progress as well as the photophysical behaviors of substances and thus is promising for visualized detection of metal ions. Herein, by applying 5-amino-1,10-phenanthroline (APT) as the optical probe, a sensing strategy was proposed based on the solvation effect modulated complexation of APT towards different metal ions to achieve the visualized discrimination of four critical ions (Cu(II), Zn(II), Cd(II), and Al(III)). How the crucial intrinsic properties of the solvent (e.g., polarity, solvent free energy, and electrostatic potential) influenced the complexation and the product emission was clarified, and the detection performances were systematically evaluated with detection limits as low as the nM level and good recognition selectivity. Furthermore, a portable sensing chip was developed with potential for highly efficient analysis in complicated scenes; thus, this strategy offers a new insight into determining multiple metal ions or other critical substances upon solvation manipulation.
研究领域:
分析化学
·
环境科学
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材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Hui He,Jingxuan Qiu,Haishuang Huang,Ying Guo,Haoyou Liu,Shen Hu,Jiaming Han,Yue Zhao,Peng Wang
The equilibrium solubility of N-benzylglycine in 11 pure solvents (methanol, ethanol, n-propyl alcohol, isopropyl alcohol, n-butyl alcohol, acetone, acetonitrile, dichloromethane, ethyl acetate, 1,4-dioxane, and water) and one binary water + ethanol solvent mixture was measured by a static gravimetric method covering the temperature range of (283.15–323.15) K. The polymorphism of N-benzylglycine was characterized via the powder X-ray diffraction test and the results indicate that no crystal form transition occurred during the dissolution process in all solvents studied. When the solvent composition is constant, the solubility of N-benzylglycine in all neat solvents and solvent mixtures is positively correlated with the experimental temperature. With the increase of the mole fraction of water at a certain temperature, the solubility curve of the binary water + ethanol solvent mixtures shows an inflection point, which may be the result of the synergistic solvation effects. The KAT-LSER model equation was used to analyze the mixed solvent system by multiple linear regression analysis to reveal the interactions between solute–solvent and solvent–solvent. In addition, the modified Apelblat model and the Apelblat–Jouyban–Acree model were utilized to correlate the solubility data.
研究领域:
药物化学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
ACS Omega
·
2019
·
IF 2.584
Jing Wang,Aisen Li,Shuping Xu,Chongping Song,Yijia Geng,Ling Ye,Houyu Zhang,Weiqing Xu
The mixed π–π packing of the donor (D) and acceptor (A) molecules is the highlighting feature of the intermolecular interactions following charge transfer (CT) issues in organic cocrystal systems. There is an inverse relationship between the D–A interplanar distance and the intermolecular CT interaction. However, the D–A C–C surface close contact (relative areas) on the intermolecular CT interactions in organic cocrystal systems is rarely investigated. Herein, we designed and constructed a novel cocrystal and its solvate cocrystal. The structural and electrostatic potential analyses suggest that the solvation destroys the N–H···N hydrogen bond interaction between phenothiazine (PTZ) and 1,2,4,5-tetracyanobenzene (TCNB), which causes the TCNB molecules to have a 90° rotation along the normal axis of the PTZ plane. Thus, the D–A C–C surface close contact is enlarged, strengthening the intermolecular π–π stacking interactions and intermolecular CT interaction between PTZ and TCNB, which are further evidenced by the absorption and Raman spectroscopic analyses. This study provides rare evidence of the enlarged C–C surface close contact in the mixed packing between D and A that greatly contributes to the intermolecular CT interaction in a D–A cocrystal system. It also provides a deeper understanding of the role of solvation in the structure–property relationship of organic cocrystal materials.
研究领域:
材料科学
·
物理化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Energy Storage Materials
·
2023
·
IF 20.4
Chengyao Zhao,Yiming Lin,Qiaoyan Lin,Qi Liu,Yujing Liu,Zhongqiu Liu,Anguo Ying
Aqueous zinc-ion hybrid capacitors (ZIHCs) are a promising new type of energy storage device, but there is a plight that the unsatisfactory Zn 2+ storage capability of carbonaceous cathodes limits further application. To address this issue, desolvation strategy is employed to tailor the solvation sheath of Zn 2+ in the ultra-micropores (0.59 nm) nanospheres , where H 3 PO 4 acts as phosphorus source for forming C-P bonds and enhancing C=O bonds to further reduce the desolvation energy barrier. In practical application, a quasi-solid-state flexible ZIHC is constructed, which provides a battery-level energy density (293.4 Wh kg −1 ) at a power density (180 W kg − 1 ) and a remarkable capacity retention of 93.4 % after 10 000 cycles. Electrochemical analyses, DFT calculations and structural characterization reveal that ultra-microporous is proved to be a prerequisite for C-P/C=O that are expected to further deplete solvent molecules within a Zn 2+ solvation sheath. Also, the coupling effect between the strong adsorption of Zn 2+ by C-P/C=O and the hydrophobic effect of C-P play an important role in facilitating desolvation process. This work creates a precedent for the application of ultra-microporous carbon materials in ZHICs and provides a brand-new approach for breaking the bottleneck of the low energy density and poor lifespan of ZHICs.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2023
·Vol. 34
·期 5
·2302397
·
IF 19
Fanbin Zeng,Senlin Li,Sanlue Hu,Minling Qiu,Guobin Zhang,Meilin Li,Caiyun Chang,Hongliang Wang,Minwei Xu,Lirong Zheng,Yongbing Tang,Cuiping Han,Hui-Ming Cheng
Calcium ion batteries (CIBs) are considered as an important candidate for post-lithium energy storage devices due to their abundance of resources and low cost. However, CIBs still suffer from slow kinetics due to the large solvation structure and high desolvation energy of Ca 2+ ions. Here, a solvation regulation strategy based on donor number (DN) is reported to achieve easy-desolvation and rapid storage of Ca 2+ in sodium vanadate (Na 2 V 6 O 16 ·2H 2 O, NVO). Specially, the solvent with a low DN, represented by propylene carbonate (PC), forms the first solvation shell of calcium ions with weak binding energy and small shell structure, which facilitates the migration of Ca 2+ in the electrolyte. More importantly, the low DN solvent is preferentially desolvated at the cathode/electrolyte interface, promoting the insertion of Ca 2+ into the NVO electrode. Mechanism studies further confirm the highly reversible uptake/release of Ca 2+ in the NVO cathode, along with the V O distance change in the coordination structure. Therefore, the NVO cathode achieves high capacity (376 mAh g −1 at 0.3 A g −1 ) and high-rate performance (151 mAh g −1 at 5 A g −1 ). The weak solvation effect strategy further improves the electrochemical performance and provides great importance for the design of the long-term development of CIBs.
研究领域:
电化学
·
能源材料
·
无机化学
·
储能技术
·
材料科学
✓ 已验证
DOI
高影响因子
ACS Applied Energy Materials
·
2020
·
IF 4.473
Shufang Zhao,Yuhao Huang,Yunju Wang,Dandan Zhu,Lei Zhang,Hongyu Wang
In a dual-ion battery with an electrolyte solution, the anion storage behavior of graphite positive electrode is heavily dependent on anion solvation. In 1 M LiBF4 solutions dissolved in cyclic carbonates including ethylene carbonate, propylene carbonate, butylene carbonate, and their mixtures, the performance of graphite positive electrode is investigated by traditional electrochemical tests in conjunction with ex situ and in situ X-ray diffraction (XRD) characterizations. The intimate correlation between the storage capacity of tetrafluoroborate anion in the graphite electrode and electrolyte solution’s composition has been found. Graphite intercalation compounds based on various types of solvated tetrafluoroborate anion have been identified. From the solutions based on carbonate mixtures, the co-intercalation of different carbonate species together with the anion has been discovered. The preferential affinity between the anion and ethylene carbonate is disclosed.
研究领域:
材料科学
·
电化学
✓ 已验证
DOI
高影响因子
Chemical Engineering and Processing-Process Intensification
·
2018
·
IF 2.826
Dong-dong Hu,Jia-xun Lyu,Tao Liu,Mei-dong Lang,Ling Zhao
The solvation effect of compressed CO 2 on the curing reaction process of epoxy resin was investigated by using the in-situ FTIR. The isothermal curing kinetic constant and activation energy of diglycidyl ether of bisphenol A (DGEBA) with m-xylylenediamine (MXDA) was calculated via Kamal autocatalytic model. The autocatalyzed rate constants and activation energy under 0.1 MPa CO 2 are 0.7139 min −1 and 50.83 kJ/mol at 393 K, while those under 18 MPa CO 2 are 1.0928 min −1 and 36.36 kJ/mol, respectively. The increased kinetic constant and reduced activation energy suggests that the plasticization effect of CO 2 eases the chain movement, promotes the curing of epoxy resin, and increases the final conversion at relatively low temperature. Then, an amended Kamal model involving the diffusion factor was applied to better describe the curing process, which suggests that the high pressure CO 2 plays an important role to reduce the mass transfer resistance and intensify the curing process. Meanwhile, the activation energy determined by the isoconversional method, also decreases with CO 2 pressure at the same conversion. Especially, the activation energy at 90% conversion under 0.1 and 18 MPa CO 2 are 46.52 and 36.19 kJ/mol, respectively, which further confirms the solvation effect of CO 2 accelerates the curing of epoxy resin.
研究领域:
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2025
·
IF 9.7
Xinming Xu,Long Su,Xiao Zhang,Rui Xu,Fei Lu,Liqiang Zheng,Hansen Wang,Chuying Ouyang,Xinpei Gao
The inherent issues of aqueous Zn-ion batteries, including side reactions and dendrite growth, can be effectively addressed through designing solvation structures enriched with anions to facilitate the formation of an anion-derived solid electrolyte interphase (SEI) layer. Here, the weakly solvating effect is utilized to modulate Zn 2+ solvation structure for constructing an anion-derived SEI layer. Trifluoroacetamide (TFACE), with a specific weak solvating ability, serves as an ideal ligand for preparing hydrated eutectic electrolytes (HEEs) combining the anion-containing solvation structures and high ionic conductivity. The results demonstrate that coordinated anions preferentially decompose and generate an inorganic/organic hybrid SEI layer on the Zn anode, which efficiently suppresses both side reactions and dendritic growth. Such an electrolyte enables assembled Zn//polyaniline (PANI) full cells to process an impressive capacity retention, maintaining 80 % after 3000 cycles at 0.5 A g −1 . This work provides a fundamental insight into building the anion-derived SEI by the weakly solvating effect and gives a viable route for designing advanced aqueous electrolytes.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ACS Nano
·
2022
·
IF 18.027
Wanbao Wu,Yihong Liang,Deping Li,Yiyang Bo,Dong Wu,Lijie Ci,Mingyu Li,Jiaheng Zhang
The development of electrolytes with high safety, high ionic conductivity, and the ability to inhibit lithium dendrites growth is crucial for the fabrication of high-energy-density lithium metal batteries. In this study, a ternary eutectic electrolyte is designed with LiTFSI (TFSI = bis(trifluoromethanesulfonyl)imide), butyrolactam (BL), and succinonitrile (SN). This electrolyte exhibits a high ion conductivity, nonflammability, and a wide electrochemical window. The competitive solvation effect among SN, BL, and Li+ reduces the viscosity and improves the stability of the eutectic electrolyte. The preferential coordination of BL toward Li+ facilitates the formation of stable solid electrolyte interphase films, leading to homogeneous and dendrite-free Li plating. As expected, the LiFePO4/Li cell with this ternary eutectic electrolyte delivers a high capacity retention of 90% after 500 cycles at 2 C and an average Coulombic efficiency of 99.8%. Moreover, Ni-rich LiNi0.8Co0.1Al0.1O2/Li and LiNi0.8Co0.1Mn0.1O2/Li cells based on the modified ternary eutectic electrolyte achieve an outstanding cycling performance. This study provides insights for understanding and designing better electrolytes for lithium metal batteries and analogous sodium/potassium metal batteries.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 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）