Article
Construction & Building Technology
Harikrishnan Pulikkalparambil, Jyotishkumar Parameswaranpillai, Jurgen Pionteck, Debabrata Nandi, Suchart Siengchin
Summary: This study reports on the self-healing capability of a plant-based bioepoxy resin by incorporating reversible ionic groups using a simple blending process with ionic liquid. The interaction between hydroxyl groups in the resin and the ionic groups in the liquid was found to be reversible, allowing for instantaneous self-healing of minor cracks. Tensile and nanoindentation tests revealed the retention of mechanical properties after self-healing, with the self-healed samples retaining approximately 42% and 53% of their tensile strength and elongation at break.
CONSTRUCTION AND BUILDING MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Lu Shen, Weiping Xie, Chengbo Ni, Yuxiao Xie, Lijing Miao, Wenjie Zhao
Summary: In this study, a combination of a porous organic cage and nanosheets was used to achieve self-healing properties and improved inhibition efficiency of an anticorrosion coating.
MATERIALS TODAY NANO
(2023)
Review
Chemistry, Multidisciplinary
Yansong Gai, Hu Li, Zhou Li
Summary: The degradation of electronic devices is inevitable, and self-healing materials have emerged to construct robust and self-healing devices. The development of self-healing electronic devices includes functions such as energy harvesting, energy storage, sensing, and transmission, but also faces challenges.
Article
Chemistry, Physical
Yaning Lin, Lichuan Jin, Dainan Zhang, Huaiwu Zhang, Zhiguo Wang
Summary: This study systematically examines the effects of mechanical strain on the magnetic anisotropy energy in YIG and BiYIG using density functional theory. It is found that unstrained YIG has no magnetic anisotropy, and the direction of the easy axis can be changed by strain.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Polymer Science
Muchen Lu, Yihu Song, Qiang Zheng, Wanjie Wang
Summary: Copper chloride has an impact on the rheological response and crosslinking dynamics of rubber, causing intermolecular disassociation. The self-healing capability is closely related to crosslinking density and plays a significant role in balancing healing efficiency and tensile strength.
JOURNAL OF POLYMER SCIENCE
(2022)
Article
Nuclear Science & Technology
Shintaro Hirayama, Koichi Sato, Daiji Kato, Hirotomo Iwakiri, Masatake Yamaguchi, Yoshiyuki Watanabe, Takashi Nozawa
Summary: The study showed that the binding energy between hydrogen and vacancies or vacancy-carbon complexes in alpha-Fe changes under uniaxial tensile strain, leading to an increase in hydrogen retention with increasing strain, with vacancies playing a more significant role in affecting hydrogen retention.
NUCLEAR MATERIALS AND ENERGY
(2022)
Article
Construction & Building Technology
Xiaoying Pan, Bora Gencturk
Summary: This paper introduces a new approach for self-healing concrete using engineered aggregates (EAs). The EAs were found to resist the conventional concrete mixing methods and effectively deliver healing agents when cracks appear in concrete. The mechanical properties and self-healing efficiency of the concrete with different healing agents were examined. The results show that self-healing EA concrete could regain more than 50% of its original strength and stiffness and reduce water permeability significantly.
CEMENT & CONCRETE COMPOSITES
(2023)
Article
Chemistry, Multidisciplinary
Jisoo Shin, Soohwan An, Soojeong Choi, Mikyung Shin, Jung Seung Lee, Jung Ho Cho, Haeshin Lee, Seung-Woo Cho
Summary: This study highlights the important role of ferritin in the self-healing lifetime of soft phenolic materials. Ferritin interacts with a catechol-functionalized polymer to form a self-healable and adhesive hydrogel bidirectionally by providing and retrieving Fe3+. The unique role of ferritin in storing and releasing iron significantly increases the self-healing lifetime of the hydrogel compared to direct Fe3+ addition without ferritin. Ferritin also induces stable oxidative coupling between catechol moieties, contributing to double cross-linking networks and broadening the versatility of phenolic hydrogels in biomedical applications.
Article
Chemistry, Physical
Shujie Zhang, Kejiang Li, Yan Ma, Feng Guo, Chunhe Jiang, Zeng Liang, Yushan Bu, Jianliang Zhang
Summary: By conducting DFT calculations with various simulation parameters and pseudopotentials, the structures and properties of iron oxides were investigated. The strong coupling between O's 2p orbital and Fe's 3d orbital was found, and the Hubbard-U correction significantly improved the results. General principles for future DFT calculations of iron oxides were provided.
Article
Polymer Science
Aiqin Zhang, Jing Li, Haojun Fan, Jun Xiang, Li Wang, Jun Yan
Summary: The content of hard segments and the degree of cross-linking have an effect on the mechanical properties of waterborne self-healing polyurethane, while tensile strength and self-healing conditions also influence the self-healing properties. Increasing the content of hard segments/cross-linking agent improves tensile strength but reduces the self-healing performance. The self-healing ability is attributed to the dynamic exchange of disulfide bonds and the thermal reversibility of hydrogen bonds in the system.
JOURNAL OF APPLIED POLYMER SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Shujie Zhang, Kejiang Li, Yan Ma, Yushan Bu, Zeng Liang, Zonghao Yang, Jianliang Zhang
Summary: This study employs density functional theory (DFT) to investigate the adsorption behavior of hydrogen atoms and H-2 on different crystal FeO surfaces. It reveals that Fe (catalytic site) and O (binding site) atoms contribute to the interaction between H-2 and FeO surfaces.
Article
Materials Science, Multidisciplinary
Jinwei Teng, Lei Qu, Zhengqi Liu, Zihao Qin, Jing Xu, Zhongni Wang, Zhaosheng Hou
Summary: This study reports the design of a novel polyurethane elastomer with superior tensile properties and self-healing ability, which can be adjusted by metal coordination bonds. The elastomers show high healing efficiency and reversible solvatochromic behavior.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Jinwei Teng, Lei Qu, Zhengqi Liu, Zihao Qin, Jing Xu, Zhongni Wang, Zhaosheng Hou
Summary: This study reports a polyurethane elastomer that exhibits superior tensile properties and efficient self-healing ability at mild temperatures. The elastomer contains imine and metal coordination bonds, allowing for reversible self-healing and adjustable tensile properties. The design concept presented in this work provides a pathway for the preparation of multifunctional polyurethane materials with promising applications in fields that require long functional lifetimes.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Construction & Building Technology
Chenguang Shi, Rong Luo, Hanqi Liu, Jun Yang
Summary: The study showed that the R-G index is a suitable indicator for evaluating the effects of filler-asphalt ratio and stress level on the self-healing performance of asphalt materials, with a linear positive correlation to fatigue life growth rate. A higher asphalt-filler ratio deteriorates the self-healing performance of some asphalt mastics, while a higher stress level has a certain beneficial impact on SBS modified asphalt.
ROAD MATERIALS AND PAVEMENT DESIGN
(2022)
Article
Chemistry, Physical
Aida Arasteh, Mohammad Reza Khalesi, Mehdi Mohseni
Summary: In this study, the adsorption of Au(CN)(-)(2) complex on hematite, magnetite, and goethite surfaces was investigated using density functional theory (DFT) approach. The most stable adsorption was found on goethite surface, with the highest interaction energy.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Jiamin Wu, Yunyi Liang, Changlei Xia, Xinxin Ma, Benhua Fei, Yingji Wu, Shengbo Ge, Jianxiong Lu, Jianzhang Li, Zhenhai Xia
Summary: A novel processing technology has been developed to fabricate laminated transparent woods, which effectively improves their mechanical properties and wood template contents. The lamination structures and layers have significant influences on the optical and mechanical properties of transparent woods, and cross-lamination reduces the direction-dependence of mechanical strength.
ADVANCED MATERIALS TECHNOLOGIES
(2023)
Article
Chemistry, Multidisciplinary
Quan Xu, Siyang Wang, Chunming Xu, Xinyi Chen, Senwei Zeng, Chuanyuan Li, Yang Zhou, Tianhang Zhou, Yingchun Niu
Summary: Improved carbon cloth electrodes with bismuth catalyst and defect engineering method were used for iron-chromium redox flow batteries (ICRFBs). The modified electrode exhibited excellent electrocatalytic ability, enhancing the reaction rate of Cr3 +/Cr2 + and improving capacity retention and cycling performance. The capacity degradation rate of the modified electrode single cell was only 0.23% per cycle at a current density of 140 mA/cm2. This study provides a simple method to obtain high-performance electrode materials for ICRFBs and promotes the large-scale commercialization of ICRFBs.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Physical
Chen Tian, Yajie Yan, Shanglei Feng, Jiaou Wang, Yingchun Niu, Xiaoxi Li, Huanxin Ju, Quan Xu, Yang Huang, Hua Dong, Ziqi Liang, Bitao Dong, Lina Li, Yingguo Yang
Summary: Modulation of crystallization and defect passivation using a vanadium carbide MXene in an anti-solvent results in improved performance and stability of perovskite solar cells. The modified perovskite film demonstrates enhanced crystallization, better energy level alignment, and higher hole injection, leading to a significant increase in power conversion efficiency from 20.1% to 23.47% for planar PSCs. The devices also exhibit excellent stability, retaining over 90% of the initial efficiency after 1000 hours of exposure under 40-60% relative humidity at 25 degrees Celsius.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Chang Guo, Fuli Zhang, Xiao Han, Lipeng Zhang, Qian Hou, Lele Gong, Jincheng Wang, Zhenhai Xia, Jianhua Hao, Keyu Xie
Summary: By considering the decomposition of Li2CO3, an intrinsic descriptor consisting of the d(x2-y2) orbital states and electronegativity is discovered to predict high-performance cathode materials. Graphene-supported noble metal (NM@G) cathodes are fabricated using a fast laser scribing technique, and Pd@G exhibits ultralow overpotential and superior cycling performance. The relationship between electronic properties of noble metal cathodes and the performance of Li-CO2 batteries provides a new avenue for designing efficient cathode materials.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Applied
Qingfeng Zhai, Zhenhai Xia, Liming Dai
Summary: This review article discusses the recent advances in carbon-based metal-free electrocatalysts (C-MFECs) and how various strategies, such as heteroatom doping, defect doping, and molecular modification, can induce catalytic active sites to create efficient and multifunctional electrocatalysts. Theoretical research has shown that the catalytic activity in C-MFECs originates from the charge/spin redistributions induced by the change in electronic structures of doped carbon materials. The progress in the unified mechanistic understanding and the challenges and future perspectives in this field are also presented.
Article
Chemistry, Multidisciplinary
Yong Gao, Zhenglong Li, Pan Wang, Wengang Cui, Xiaowei Wang, Yaxiong Yang, Fan Gao, Mingchang Zhang, Jiantuo Gan, Chenchen Li, Yanxia Liu, Xinqiang Wang, Fulai Qi, Jing Zhang, Xiao Han, Wubin Du, Hongge Pan, Zhenhai Xia
Summary: A series of heteroatom-doped graphene were investigated as efficient pseudocapacitive anodes for calcium-ion batteries. Density functional theory calculations and experimental verifications were conducted to establish the design principles and propose a new descriptor φ to correlate the properties of dopants with the storage capabilities of the carbon-based anode. The design principles and descriptor demonstrated predictive ability in screening the best dual-doped graphene anode with significantly higher Ca2+ storage capability than sole-doped counterparts.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Engineering, Environmental
Peide Zhu, Xuelin Zhao, Qingyan Zhu, Xinli Han, Yaoyao Tang, Song Liao, Zixuan Guo, Ziying Wang, Wenzhi Bi, Quan Xu, Lunan Zhang, Meng Xu
Summary: In this study, multi-element charge-transfer co-doped carbon dots (CDs) were developed as dual-mode contrast agents for osteosarcoma (OS) models. The hydrothermal carbonization method was used to obtain P, W co-doped CDs, P, W, Hf co-doped CDs-1, and P, W, Hf co-doped CDs-2, which exhibited high long-wavelength quantum yields in N, N-dimethylformamide solution. P, W, Hf co-doped CDs-1 showed superior biocompatibility, cell imaging, and fluorescence/CT high contrast imaging performance compared to the other CDs. Biodistribution and pharmacokinetic results also indicated that P, W, Hf co-doped CDs-1 has potential as a dual-mode imaging contrast agent for OS.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Tao Zheng, Jincheng Wang, Zhenhai Xia, Guofeng Wang, Zhiyao Duan
Summary: Iron and nitrogen co-doped carbon (Fe-N-C) catalysts have shown great potential in promoting the oxygen reduction reaction (ORR) in proton exchange membrane fuel cells. This study used density functional theory to investigate the interplay of oxidation state, spin state, and applied potentials on the catalytic activity of an FeN4C10 moiety. Two stable spin states of Fe(ii)N4C10 at ORR-relevant potentials were identified, showing distinct abilities in binding ORR intermediates and ORR activities. This research provides valuable insights into the spin-correlated catalytic performances of Fe-N-C catalysts.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Lele Gong, Xiaowei Wang, Rahman Daiyan, Xiaofeng Zhu, Joshua Leverett, Zhiyao Duan, Lipeng Zhang, Rose Amal, Liming Dai, Zhenhai Xia
Summary: In this study, a computational approach based on density functional theory and electrical double-layer interface models is developed to accurately predict potential-dependent reaction pathways, catalytic activity, and product selectivity of electrochemical CO2 reduction. The calculated onset potentials and maximum faradaic efficiency of CO2 reduction agree well with experimental results for single-atom catalysts. This research provides a fundamental understanding of complex potential-dependent catalytic behavior and offers new approaches for catalyst screening in CO2 reduction and other complex reaction systems.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Review
Materials Science, Multidisciplinary
Yaoyao Tang, Quan Xu, Peide Zhu, Rongye Zhu, Juncheng Wang
Summary: This review introduces the application of carbon dots (CDs) in biology and the role of machine learning. CDs, as a novel nanomaterial, are widely used due to their optical properties and biocompatibility, serving as fluorescence probes, anti-cancer drugs, etc. Machine learning has made significant progress in the biological field, and this article introduces the workflow and leading models in ML, as well as the application of CDs in bioimaging, biosensing, and cancer treatment. The combination of ML and CDs is discussed, and challenges and expectations for the future are briefly summarized.
MATERIALS ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Tao Zheng, Xiao Han, Jincheng Wang, Zhenhai Xia
Summary: Efficient and stable single-atom catalysts (SACs) for oxygen reduction and oxygen evolution reactions were achieved through doping strategy, with the establishment of an intrinsic descriptor for screening the best SACs.
Review
Chemistry, Physical
Xiaoxiao Dong, Xiaohang Luo, Hong Zhao, Chenyu Qiao, Jiapeng Li, Jianhong Yi, Li Yang, Francisco J. Oropeza, Travis Shihao Hu, Quan Xu, Hongbo Zeng
Summary: Compared to traditional rigid-bodied robots, soft robots have flexibility and adaptability, enabling complex interactions with humans, other organisms, and non-ideal environments. This article summarizes the fabrication methods, driving strategies, applications, and future trends of soft robots, as well as discusses challenges and perspectives.
Article
Chemistry, Multidisciplinary
Quan Xu, Yaoyao Tang, Peide Zhu, Weiye Zhang, Yuqi Zhang, Oliver Sanchez Solis, Travis Shihao Hu, Juncheng Wang
Summary: This study utilizes machine learning methods to guide the synthesis of blue CDs, resulting in improved quantum yield (QY). The obtained CDs are used as fluorescent probes for monitoring hydrogen peroxide in human teeth.
Article
Materials Science, Multidisciplinary
Shouzhen Li, Huayu Zheng, Lan Ding, Xie Xiao, Yingchun Niu, Yaoyao Tang, Zeyang Liu, Weiye Zhang, Yang Zhou, Quan Xu
Summary: Recently, machine learning has shown great potential in advanced materials for avoiding lengthy construction and testing cycles. In this study, the researchers successfully prepared full-color MXene quantum dots and used machine learning to drive the construction of white light emitting diodes. The experimental results demonstrated excellent fluorescence properties of the prepared quantum dots and achieved tunable white light emission. This study is of significant importance for guiding the development of materials science.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Physical
Xiao Han, Qiao Chen, Qingxi Chen, Qingfeng Wu, Ziyuan Xu, Tao Zheng, Weizhao Li, Dingcong Cui, Zhiyao Duan, Jing Zhang, Junjie Li, Hejun Li, Zhijun Wang, Jincheng Wang, Zhenhai Xia
Summary: Highly porous high entropy alloy electrodes were successfully fabricated through selective etching of eutectic microstructures, exhibiting excellent performance in the hydrogen and oxygen evolution reactions with enhanced interaction between the electrode surface and adsorbed water molecules. First-principles calculations confirmed the improvement in intrinsic catalytic activity after dealloying. This study provides a new approach for designing low-cost self-supporting electrodes for sustainable energy applications.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
