INTERNATIONAL JOURNAL OF THERMAL SCIENCES
·
2019
·
IF 3.488
Biao Feng,Li-Wu Fan,Yi Zeng,Jing-Yu Ding,Xue-Feng Shao
Molecular dynamics (MD) simulations were performed to give insights into the effects of hydrogen bonds (HBs) on the melting process and heat conduction of erythritol as a promising latent heat storage material. First, among four force fields (GAFF, GROMOS, OPLS and CHARMM), the applicability of GROMOS force field was verified by comparing the predicted density and heat capacity of erythritol at various temperatures of interest with the measured values. The microscopic melting process of erythritol was simulated using the interface/NPT method, leading to a predicted melting point of ~394 K that agrees well with the measured value (~392 K). It was demonstrated that the variation of HBs energy associated with changes of molecular structure is the primary contribution to the latent heat. Upon melting, the strong inter-molecular HBs in solid erythritol break off and form weaker intra- and inter-molecular HBs in the liquid phase. In addition, non-equilibrium MD simulations were performed to study the microscopic heat conduction in erythritol molecules and to examine the dependence of the van der Waals (vdW) and Coulomb heat currents on the interatomic distance. It was revealed that the heat transfer capability of HB interactions is better than those of the Coulomb or vdW interactions. In the solid phase, the amount of heat transfer through HBs becomes greater with increasing the number of HBs. The results shed light on a promising approach to improving the latent heat storage capacity and thermal conductivity of erythritol (and other sugar alcohols) by manipulating the number and strength of HBs.
研究领域:
材料科学
·
分子动力学
✓ 已验证
产品关联
DOI
高影响因子
MATERIALS CHEMISTRY AND PHYSICS
·
2021
·
IF 4.094
Lijing Chang,Yanjun Hou,Ju Bai,Haoran Xu,Yuhang Zhang,Shoulei Miao,Cheng Wang
Two electrochromic polymers containing triphenylamine groups with memory storage function were synthesized. The structures of the polymers have been characterized in detail. The polymers had good solubilities, excellent thermal stabilities and high fluorescence intensities. The reversible redox peak can also be clearly observed in the cyclic voltammogram, and the electrochromic color contrast was obvious. In addition, the polymers can also be used as memory storage materials with excellent "write-read-erase-rewrite" performance. Among them, the P2 film presented noticeable color changed from light yellow to pine green during the voltage 0 V–1.4 V, the coloring time was 3.3 s and the bleaching time was 3.7 s, the coloration efficiency was 207 cm 2 C −1 . The ON/OFF current ratio of P2 was 10 3.1 and the threshold voltage of P2 was 0.91 V. The results showed that these polymers have broad application prospects in the field of dual-function materials.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2022
·
IF 16.744
Jiahui Li,Yangfeng Wang,Mengru Hu,Zhangze Ye,Xiaohua Zheng,Peng Li,Chu Liang
The realization of heteroatom doping can enable carbon functional materials to have superior physiochemical properties via tailoring electron and ion distribution . However, the facile synthesis of heteroatom-doped carbon materials without CO 2 emission from precursor is a major challenge for low-carbon utilization of carbon materials. Herein, we report a facile self–templated method to synthesize boron–doped porous carbon derived from CO 2 based on the new reactions of 2LiBH 4 ·CO 2 with CO 2 . Boron–doped porous carbon is produced via a consecutive reaction between 2LiBH 4 ·CO 2 and CO 2 . The solid intermediate products with porous structure are formed at the first-step reaction. The newly developed porous solid products serve as the template for the chemical vapor deposition of gaseous intermediate products at the second-step reactions. The self-templated mechanism is demonstrated to form porous templates at initial stage for depositing carbon and boron sources on templates to produce boron-doped porous carbon. As a lithium storage material, it delivers a reversible capacity as high as ∼ 1660 mAh/g at 0.2 A/g and ∼ 890 mAh/g at 1.0 A/g after 1200 cycles. This finding opens a low-carbon and self-templated strategy to synthesize heteroatom–doped carbon functional materials from CO 2 .
研究领域:
材料科学
·
能源化学
✓ 已验证
产品关联
DOI
高影响因子
Laser & Photonics Reviews
·
2025
·
IF 10
Haijie Guo,Lili Liu,Lei Wang,Qiufeng Shi,Jianwei Qiao,Cai'e Cui,Ping Huang,Yuhua Wang
Optical information storage technology offers several advantages, including cost-effectiveness, multidimensional storage, and rewritable capability. Consequently, it has become increasingly popular for optical storage media. Herein, a novel optical information storage material Na 2 CaGe 2 O 6 :Bi 3+ (NCGO:Bi 3+ ) is developed using a non-equivalent substitution strategy, which exhibits photochromic (PC) and ultraviolet persistent luminescence (UV PersL) properties. NCGO:Bi 3+ demonstrates excellent white-to-brown PC performance under 254 nm light irradiation. The brown phosphor can be effectively bleached using 425 nm light or thermal stimulation, demonstrating excellent reversibility over multiple cycles. Additionally, the phosphor displays UV PersL characteristics. The representative sample NCGO:0.001Bi 3+ with a duration time exceeding 10 h after 254 nm light excitation, peaking at 358 nm. Simultaneously, due to the electrons captured by deep traps can be released via low-energy light excitation, the sample also exhibits photostimulated PersL characteristics. Specifically, oxygen vacancies (V O ) are identified the primarily responsible for the observed PC and PersL phenomena by X-ray photoelectron spectroscopy (XPS) and electron paramagnetic resonance (EPR) analyses. Overall, this work indicates that the combination of 254 nm light-induced PC and PersL in a single material has potential for designing advanced luminescent materials for the application of optical information storage.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ORGANOMETALLIC CHEMISTRY
·
2019
·
IF 2.066
Amin Khan,Haojie Yu,Li Wang,Pavel A. Zhizhko,Dmitry N. Zarubin,Dmitry A. Lemenovskiy,Fazal Haq,Muhammad Usman,Ahsan Nazir,Kaleem-ur-Rehman Naveed
Herein, poly(2-(methacryloyloxy) ethyl ferrocene carboxylate- co -(methacrylohydroxyhexane azobenzene)s) (P(FHEMA- co -MAZOHE)s) were prepared by random copolymerization and were characterized by proton nuclear magnetic resonance ( 1 H NMR) and gel permeation chromatography (GPC) to confirm the structures and molecular weights respectively. Thermal variations were analyzed by thermogravimetric (TG), differential thermogravimetric (DTG) and differential scanning calorimetry (DSC) techniques. Finally, redox and photo stimuli-responsive properties were confirmed by cyclic voltammetry (CV) and ultraviolet–visible spectroscopy (UV–vis) respectively. The results revealed that (P(FHEMA- co -MAZOHE)s) can be useful as information storage materials.
研究领域:
高分子化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Energy Storage
·
2023
·
IF 9.4
Changhui Liu,Tong Xiao,Xulong Yang,Jiapeng Wang,Yaodong Zhang,Zafar Said
As one of the most common fossil derivatives, plastic is indispensable in daily life because of its promising mechanical properties, chemical stability, and easy accessibility. However, plastics still present a huge burden on the global environment due to their high production volume , difficulty with degradation and low recycling rate. At the same time, global primary energy reserves are decreasing, thus achieving highly efficient use of energy has become a hot topic of research. Herein, the waste plastics can be utilized as a supporting material and encapsulation the phase change materials through intermolecular hyper-crosslinking reaction with the assistance of Lewis acids. To illustrate the effect of porous structure on the thermophysical properties and energy storage characteristics of the obtained materials, three aromatic crosslinkers , triphenylphosphine, triphenylbenzene, and benzene were examined regarding their performance on the Fridel-Crafts reactions. It is found that the obtained materials bearing a thermal conductivity and latent heat of 0.22 W/mK and 145.7 J/g, respectively, without liquid leakage .
研究领域:
能源材料
·
化学工程
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
Nano Energy
·
2021
·
IF 17.881
Pengfei Yan,Liang Ji,Xiaopeng Liu,Qinghua Guan,Junling Guo,Yonglong Shen,Haijun Zhang,Weifeng Wei,Xinwei Cui,Qun Xu
2D heterostructures offer a great opportunity in seeking high-performing energy storage materials ; however, performance ceiling exists, limited by their van-der-Waals (vdW) interactions. Here, we explore a novel 2D, amorphous MoO 3−x (aMoO 3−x ) on Ti 3 C 2 -MXene, non-vdW heterostructure via a facile synthesis route. Density functional theory computations suggest that the non-vdW heterostructure can strongly stabilize aMoO 3−x while maintaining electrical conductivity at a high level. Facile 2D Li-ion diffusion can then be achieved in the restacked 2D non-vdW heterostructures due to the weakened interactions between two defective MoO 3−x layers, leading to a capacitor-like interlayer diffusion reaching a large capacity of 426 C g −1 on the surface of the amorphous layer and a diffusion-controlled intralayer diffusion of 546 C g −1 within the amorphous layer. These characteristics optimize Li-ion storage kinetics while achieving full capacities of amorphous materials with high stability. This work might offer a feasible platform of 2D non-vdW heterostructures for boosting and understanding Li-ion storage performance.
研究领域:
材料科学
·
能源科学
·
计算化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ORGANOMETALLIC CHEMISTRY
·
2019
·
IF 2.066
Amin Khan,Haojie Yu,Yang Wang,Li Wang,Raja Summe Ullah,Fazal Haq,Tarig Elshaarani,Muhammad Usman,Ahsan Nazir,Kaleem-ur-Rehman Naveed
Different copolymers (poly(2-(methacryloyloxy) ethyl ferrocene carboxylate- co -methacrylo-4-aminoazobenzene- co -methacrylic acid)s) (P(FHEMA- co -MAZO- co -MAA)s) were synthesized and their different properties were analyzed in this work. Methacrylic acid was introduced as a side group to possibly affect the photostability. The synthesized copolymers were characterized by nuclear magnetic resonance ( 1 H NMR) spectroscopy and gel permeation chromatography (GPC). Thermal studies were performed by thermogravimetric (TG), differential thermogravimetric (DTG) and differential scanning calorimetry (DSC) analysis, which showed that the copolymers were thermally stable under the operating conditions of the information storage devices. Redox studies and photoresponsive studies were performed by CV technique and UV/vis spectroscopy which showed that these copolymers contained good redox and photoresponsive properties. The obtained results paved the way towards the four states information storage of the materials.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
·
2025
·
IF 5.4
Jiayu Li,Xianbo Meng,Jian Zhou,Songhao Zhao,Shuhong Wang,Cheng Wang,Zhuang Cai,Yanjun Zhang
In recent years, designing advanced functional materials that can be used in organic memory devices has become a hot research topic. Among them, polymers have attracted much attention for having at least two stable resistive states. This work reports on the synthesis of various donor-acceptor (D-A) conjugated polymers based on quinoxaline via the Suzuki reaction. ITO/polymer/Al sandwich structure device were prepared with polymer as the active layer through solution spin-coating and Al as electrode by vacuum evaporation method. Among these memory devices, the memory devices based on the polymer (PFQx) synthesized by fluorene as the donor and quinoxaline as the acceptor exhibit excellent binary storage behavior. To further regulate the memory properties, we synthesize conjugated polymers (PFDQx, PFCQx, PFFQx) by modifying quinoxaline with different substituents to act as acceptors, and ternary switching behavior is shown by the memory devices made using these polymers. The PFCQx-based devices have the lowest ternary storage characteristics of V th1 (-0.9 V) and V th2 (-1.3 V) among all the devices, and the greatest switching current ratio of 10 4.6 . All these results indicate the potential application of quinoxaline-based polymers in ternary storage and also provide new ideas for the molecular design of nonvolatile memory materials.
研究领域:
材料科学
·
有机电子学
✓ 已验证
DOI
高影响因子
Nano Energy
·
2025
·
IF 17.1
Weijian Yu,Guangyu Zhao,Zi Wang,Jiaji Tang,Shuo Wang,Jianjie Qiang,Yue Cui,Yelei Chen,Li Zhang,Liang Deng,Lei Zhao,Zhenbo Wang
Developing structural energy storage materials (SESM) to address the range anxiety of aerial and aerospace vehicles is crucial. These materials must have a homogeneous, open structure, high specific energy, environmental adaptability, and ease of machining. Traditional capacitor-based or lithium-ion battery embedded structures fail to meet these demands simultaneously. In this study, the high energy density and environmental adaptability of zinc-ion batteries are integrated with the superior mechanical performance and ionic conductivity of a bi-continuous phase electrolyte, resulting in the creation of an open-structured composite. Through microphase separation simulation and optimization of mass transfer channels, the best formulation (MEP30) is achieved, featuring high mechanical strength (108 MPa Young’s modulus) and ionic conductivity (0.56 mS cm –1 ). An NH 4 V 4 O 10 @Carbon fiber (CF)||electrolyte||Zn@CF structure is developed, capable of multi-layer expansion. This design improves interlayer stress distribution and reduces weight, enhancing mechanical properties (408 MPa Young’s modulus) and system energy density (20 wh kg –1 ). The material can be machined into various shapes and remains functional after destructive processes like perforation and cutting. Under extreme conditions (low temperature, water immersion, low pressure) simulating aerial and aerospace environments, the multilayer material retains its energy density, offering a promising approach for SESM development.
研究领域:
材料科学
·
能源工程
✓ 已验证
产品关联
DOI
高影响因子
Materials Today Chemistry
·
2023
·
IF 7.3
C. Jiang,X. Wang,X. Xiao,M. Piao,Y. Jia,J. He,L. Hu,Y. Zou,L. Sun,L. Chen
Chemical complex borohydride is a promising hydrogen storage material due to its large gravimetric and volumetric hydrogen capacities. However, the high dehydrogenation temperature and sluggish kinetics still place strong restrictions on its practical application in the hydrogen storage field. In this work, a synergetic approach of partial cation substitution and catalysis is developed to enhance the hydrogen storage properties of LiBH 4 . The Li/Mg based dual-cation borohydride (LiMg 2 (BH 4 ) 5 , LMBH) was successfully synthesized by wet chemical ball milling of LiBH 4 and MgCl 2 . The optimal (LMBH (4.5:1) sample, LiBH 4 and MgCl 2 in molar ratios of 4.5:1, possesses a maximum hydrogen desorption capacity (11.27 wt%) and the outstanding initial decomposition temperature (∼250 °C). Importantly, the LMBH (4.5:1) doped with TiF 3 shows a remarkable onset dehydrogenation temperature as low as 97.2 °C, which is about 190 °C lower than that of pristine LiBH 4 . The LMBH (4.5:1) doped with TiF 3 system releases 7.98 wt% H 2 within 170 min below 350 °C. And the dehydrogenation product of doped composite can reversibly absorb ∼4.72 wt% H 2 at a relatively moderate temperature of 280 °C, which is substantially lower than the reversible hydrogen absorption temperature of previous modified borohydride systems. Based on the structural characteristic analyses, the TiF 3 reacts with LMBH (4.5:1) to in-situ form actual catalytic components of TiB 2 and TiH 2 as the actual catalysts for LMBH (4.5:1), resulting in the improved hydrogen re/dehydrogenation properties. The synergetic modification of Li/Mg dual-cation substitution and TiB 2 /TiH 2 catalysis may lead to the development of light-metal borohydrides with outstanding hydrogen storage properties.
研究领域:
材料科学
·
化学工程
✓ 已验证
DOI
高影响因子
COMPOSITES SCIENCE AND TECHNOLOGY
·
2022
·
IF 9.879
Quan Wang,Xueqing Liu,Zhe Qiang,Zhendong Hu,Xin Cui,Huaixiao Wei,Jinjin Hu,Yuming Xia,Shuohan Huang,Jianming Zhang,Kun (Kelvin) Fu,Yuwei Chen
Photocuring-based 3D printing becomes an emerging technology in various applications owing to their advantages of high design flexibility and low cost. Developing 3D printing resins with high dielectric constant is important for enabling on-demand manufacturing of energy storage materials . Herein, we report a scalable and simple approach for preparing ultraviolet (UV) curable resin composite with high dielectric constant, through the introduction of cellulose nanocrystals (CNCs) as bio-fillers into methacrylate malate photocurable resins (MMPR). MMPR resin was synthesized by reacting methacrylic acid (MAA) with malate resin (MR), while CNCs were also grafted to MAA for allowing the uniform dispersion of fillers in the polymer matrix . Subsequently, high dielectric constant composite resin CNCs-MAA/MMPR was prepared by simply mixing CNCs-MAA with MMPR and the dielectric constant of materials can be manipulated by varying the content of CNCs-MAA particles. Specifically, with the addition of 1 wt% CNCs-MAA, the dielectric constant increases from 4.0 (MMPR) to 10.9 at 1 MHz, which can be attributed to the interfacial effect between CNCs-MAA and MMPR matrix and the abundant presence of polar groups (-OH) from CNCs surface. The prepared resin composite can be directly used for conventional 3D printing technologies. Specifically, practical use of CNCs-MAA/MMPR composites for energy storage was demonstrated, which the capacitance of MAA/MMPR resin with 1 wt% CNCs increases more than 132% compared to pristine MMPR. This work provides an industrially feasible method for preparing photocurable resin composites with high dielectric constants for 3D printing.
研究领域:
材料科学
·
能源技术
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）