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ACS Applied Materials & Interfaces · 2019 · IF 8.456

Multiple Weak H-Bonds Lead to Highly Sensitive, Stretchable, Self-Adhesive, and Self-Healing Ionic Sensors

Haiyan Qiao,Pengfei Qi,Xiaohui Zhang,Linan Wang,Yeqiang Tan,Zhaohui Luan,Yanzhi Xia,Yanhui Li,Kunyan Sui

Herein, we demonstrate a ternary ionic hydrogel sensor consisting of tannic acid, sodium alginate, and covalent cross-linked polyacrylamide as skin-mountable and wearable sensors. Based on the multiple weak H-bonds and synergistic effects between the three components, the as-prepared hybrid hydrogel exhibits ultrastretchability with high elasticity, good self-healing, excellent conformability, and high self-adhesiveness to diverse substrates both in air and underwater. More importantly, the ternary hydrogel exhibits high strain sensitivity especially under subtle strains with a gauge factor of 2.0, which is close to the theoretical value of the ionic hydrogel sensors; an extremely large workable range of strain (0.05–2100%); and a low operating voltage 0.07 V. Consequently, the sensor demonstrates superior sensing performance for real-time monitoring of the large and subtle human motions, including limb motions, swallowing, smiling, and wrist pulse. Therefore, it is believed that the STP hydrogel has great potential applications in health monitoring, smart wearable devices, and soft robots.

研究领域: 材料科学 · 生物医学工程
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CHEMICAL ENGINEERING SCIENCE · 2024 · IF 4.1

The solid–liquid equilibrium behavior of ε-CL-20 in 10 pure solvents and its molecular mechanism

Hui Wang,Hongtu Zhao,Wenbo Wu,Shifan Xu,Na Wang,Ting Wang,Xin Huang,Lina Zhou,Ying Bao,Hongxun Hao

The solubility performance of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane has been investigated by the combination of experimental measurement, solvent parameter analysis, and molecular simulation methods. The solubility in 10 pure solvents at 293.15 K to 343.15 K was determined. It was found that the solubility in nine solvents increased with temperature, except for isoamyl propionate. However, it has the largest solubility in isoamyl propionate (4.36 × 10 −2  ∼ 5.39 × 10 −2 ). Additionally, a correlation analysis was performed using four equations, which showed that the NRTL equation provided the best fit (overall average relative deviation = 3.74 %, overall coefficient of determination = 0.991). Moreover, the solvent effect was analyzed by Hansen solubility parameters, predicting good solubility in solvents with R a(V)  ≤ 12.47 MPa 0.5 or Δ δ t  ≤ 7.77 MPa 0.5 , indicating weak polarity of solvent and weak solvent–solvent intermolecular hydrogen bonds enhance dissolution. Furthermore, molecular electrostatic potential surface and radial distribution function analyses provided that weak hydrogen bonding C-H···O promotes dissolution.

CAS / MDL: 100-51-6 56-81-5
研究领域: 化学 · 材料科学
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ENERGY & FUELS · 2024 · IF 5.2

Separation of Aromatic Hydrocarbons from Straight-Run Naphtha by Bimetallic Halides

Zheng Tang,Tao Zheng,Han Liu,Rui Zhang,Xianghai Meng,Haiyan Liu,Guoqing Cui,Zhichang Liu,Chunming Xu

The separation of aromatic hydrocarbons from straight-run naphtha is crucial for the optimal utilization of naphtha resources in the petrochemical industry. Bimetallic halides exhibit excellent performance in aromatic separation from straight-run naphtha. Therefore, it is highly significant to investigate the complexation mechanism and aromatic separation mechanism for bimetallic halide selection and further separation performance enhancement. In this study, CuAlCl4 and Sn(AlCl4)2 were used in the separation of aromatics from naphtha and exhibited excellent performance. The complexation mechanism of bimetallic halide-aromatic complexes was elucidated by XAFS, FT-IR, and density functional theory. The results unveiled that bimetallic halides could coordinate with only one aromatic ring. The geometric structures, bonding characteristics, and weak interaction between bimetallic halides and hydrocarbons were analyzed by a series of wavefunction analysis methods. The results indicated that there was π complexation between bimetallic halides and aromatics, in which s and d orbitals of Cu(I) ion and s and p orbitals of Sn(II) ion played an important role. Meanwhile, there was weak hydrogen bonding interaction between bimetallic halides and aliphatic hydrocarbons. The directional complexation between bimetallic halides and aromatics was the essential reason for aromatic separation.

CAS / MDL: 7758-89-6 7772-99-8
研究领域: 化学工程 · 材料科学 · 理论化学
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ACS Nano · 2025 · IF 16

Weak H-Bond Interface Environment for Stable Aqueous Zinc Batteries

Shuai Wang,Haoran Wang,Jiguo Tu,Lei Huang,Shenzhen Deng,Bingang Xu,Lei Wei

Hydrogen evolution reaction and Zn dendrite growth, originating from high water activity and the adverse competition between the electrochemical kinetics and mass transfer, are the main constraints for the commercial applications of the aqueous zinc-based batteries. Herein, a weak H-bond interface with a suspension electrolyte is developed by adding TiO2 nanoparticles into the electrolytes. Owing to the strong polarity of Ti–O bonds in TiO2, abundant hydroxyl functional groups are formed between the TiO2[110] active surface and aqueous environment, which can produce a weak H-bond interface by disrupting the initial H-bond networks between the water molecules, thereby accelerating the mass transfer of Zn2+ and reducing the water activity. In consequence, the Zn||Zn symmetrical cells display reversible Zn plating/stripping behaviors with a high Coulombic efficiency of 99.7% over 700 cycles. Moreover, the TiO2-based suspension strategy is also applicable to other zinc salt systems and exhibits fast plating/stripping behaviors. The suspension electrolyte enables long-term full cells, including Zn||PANI hybrid capacitors and Zn||ZnVO full batteries.

研究领域: 材料科学 · 电化学 · 能源存储
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RSC Advances · 2017 ·Vol. 7 ·期 36 ·22485-22491 · IF 3.108

Weak hydrogen bonding competition between O–H⋯π and O–H⋯Cl

Hailiang Zhao,Shanshan Tang,Qun Zhang,Lin Du

The weak intermolecular interaction between 2,2,2-trifluoroethanol (TFE) and 3-chloro-2-methyl-1-propene (CMP) has been investigated by gas phase FTIR spectroscopy and DFT calculations. CMP offers two hydrogen bond docking sites to the hydrogen bond donor: the chlorine atom (O–H⋯Cl) and the CC π electron system (O–H⋯π). DFT calculations suggest that MeOH approaches CMP in five different orientations. The structural, energetic, and spectroscopic parameters of the most stable structures in each orientation were studied, and their binding energies range from −25.5 to −19.5 kJ mol−1. The docking to the π system is at least 1 kJ mol−1 more favored than the docking to the chlorine atom. The equilibrium constant for complexation (2.3 × 10−2) was determined from the experimental and calculated intensity of the OH-stretching transition. The Gibbs free energy of formation was found to be 9.3 kJ mol−1. The nature of the non-covalent interaction was analyzed with the atoms in molecules (AIM) method.

研究领域: 物理化学 · 结构化学 · 分子光谱学 · 量子化学计算 · 分子间相互作用
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COMPOSITES SCIENCE AND TECHNOLOGY · 2022 · IF 9.879

Weak hydrogen bonds on CF enhancing interfacial strength and toughness for CFRPs

Yinchuan Pu,Zhenyu Ma,Li Liu,Yongping Bai,Yudong Huang

It was a major challenge to acquire CFRPs with both great toughness and strength . Inspired by spider silk , a biomaterial with impressive toughness, we discovered that introducing highly dense weak hydrogen bonds at the interface can be applied to CFRPs toughening. Highly dense weak hydrogen bonds between the branched polyethyleneimine (PEI) and metal-organic frameworks UIO-66 at the interface of CFRPs were formed by the “bridge” of hydroxyl-rich poly (vinyl alcohol) (PVA). The break of those hydrogen bonds could dissipate substantial energy and disperse the stress, the impact toughness of CFRPs with the “PEI-PVA-UIO-66” interlayer was up to 99.53 kJ/m 2 . Compared with composites reinforced by CFs modified with UIO-66 by chemically grafting or by physically absorbing without PVA, the impact toughness of CF-PVA-MOF/EP improved by 45% and 33%, respectively. This means that the highly dense weak hydrogen bonds have superiority for CFRPs toughening. Meanwhile, the interfacial shear strength (100.85 MPa) and interlaminar shear strength (102.44 MPa) of CFRPs were realized by the innovative designed interfacial structure.

研究领域: 材料科学 · 复合材料 · 机械工程
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