Article
Engineering, Chemical
Xinyao Ma, Xiaohong Zhu, Changxiong Huang, Jun Fan
Summary: The effects of termination group of MXene membrane on its water desalination performance were investigated using molecular dynamics simulation. The simulation results showed that the surface charge features and hydrogen bond interactions significantly influenced the interactions between termination group and water. The water permeability through MXene channel with different surface terminations followed the order of F > O > OH, and the charge nature of surface terminations played a vital role in their interactions with ions.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Forestry
Chun-Wei Chang, Chi-Yen Lin, Hao-Wei Kao, Feng-Cheng Chang
Summary: Two micromechanical analytical models and a finite element (FE) inverse numerical method were used to calculate the transverse elastic modulus of bamboo. A specially designed strip-reinforced polymer specimen and bamboo veneer microtensile test were used to verify these approaches. The Chamis model performed the best, while the Reuss model had the worst results.
WOOD SCIENCE AND TECHNOLOGY
(2023)
Review
Chemistry, Physical
Hariprasad Vadakke Neelamana, Sreelakshmi Madhavanunni Rekha, Sarpangala Venkataprasad Bhat
Summary: MXene is a family of two-dimensional layered materials composed of transitional metal carbides, nitrides, or carbonitrides. Among them, Ti3C2Tx MXene has been extensively studied for its exceptional properties and potential applications in optoelectronics. It can be fabricated and processed in various cost-effective ways and exhibits excellent optical transparency and metallic conductivity, making it suitable for a wide range of optoelectronic applications.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Taotao Yu, Jianyu Li, Mingjun Han, Yinghe Zhang, Haipeng Li, Qing Peng, Ho-Kin Tang
Summary: Recent advancements have led to the synthesis of novel monolayer 2D carbon structures, namely quasi-hexagonal-phase fullerene (qHPC(60)) and quasi-tetragonal-phase fullerene (qTPC(60)). Graphene was chosen as the substrate and encapsulation material. Comprehensive molecular dynamics simulations were conducted to investigate the mechanical stability of 2D fullerene when placed on a graphene substrate and encapsulated within it. The results showed that encapsulation with graphene significantly improved the mechanical reliability of 2D fullerene and defects on the C60 layer had negligible impact on the deterioration of the mechanical properties.
Article
Nanoscience & Nanotechnology
Wenting Xu, Zhao Xu, Yunxia Liang, Lianmei Liu, Wei Weng
Summary: The study achieved high strength, flexibility, and electrochemical performance for supercapacitor electrodes using few-layer MXene flakes and hydrophilic-functionalized carbon nanotubes. The morphology of the MXene/CNT composite films evolved into a laminar structure with alternating thin MXene and CNT layers, demonstrating the best performance. This approach resulted in a high specific capacitance of 423.4 F g(-1) at 1 A g(-1) and nearly 60% capacitance retention at 10 A g(-1), making the laminar MXene/CNT composite film a promising candidate for flexible supercapacitors.
Article
Chemistry, Physical
Alan R. Bowman, Samuel D. Stranks, Bartomeu Monserrat
Summary: The study of the interface between singlet fission molecules and low-band-gap halide pervoskites showed that triplet transfer was not observed, and first-principles calculations indicated weak interaction at the interface between tetracene and cesium lead iodide.
CHEMISTRY OF MATERIALS
(2022)
Article
Mechanics
Zhi Deng, Zifeng Yang, Wen-Li Chen
Summary: This study experimentally investigates the impact of material, length, and spacing on the control of aerodynamics. The results indicate that owl feathers improve aerodynamic performance, while artificial materials decrease the lift-to-drag ratio. Nylon, however, has optimal adaptability and robustness in controlling turbulent fluctuations.
Article
Chemistry, Multidisciplinary
Zhonglin Cao, Prakarsh Yadav, Amir Barati Farimani
Summary: This study compares the performance of nanoporous graphene, MoS2, and MXene in DNA detection through extensive molecular dynamics simulations. It is found that graphene nanopore is the most sensitive in distinguishing DNA bases, while MoS2 is better than graphene and MXene in distinguishing A and T bases from C and G bases.
Article
Materials Science, Multidisciplinary
Yu Zhang, Guanfeng Zhou, Yuanxun Zheng
Summary: This paper studied the effects of different fibers on the durability and mechanical properties of concrete. The results showed that an appropriate amount of end-hooked steel fibers can effectively enhance the compressive, flexural, and splitting tensile strength of the concrete, while an appropriate amount of basalt fibers has the best improvement effect on the uniaxial tensile strength. Polypropylene fibers had a negligible effect on the durability and mechanical properties of the concrete. As the fiber content increased, the mechanical properties of the concrete declined but the uniaxial and splitting tensile strengths improved, impacting the impermeability and frost resistance of the concrete.
JOURNAL OF MATERIALS SCIENCE
(2023)
Article
Materials Science, Composites
Saigeeta Priyadarshini, Shatrughan Soren, Geeta Durga
Summary: The present study investigates the mechanical properties, morphological characteristics, water absorption, and burning behavior of hemp/E-glass fiber reinforced hybrid composites (FRHC). The adhesive properties of bi-directional hemp fiber mats were improved by treating them with alkali solution. The effects of graphene and MXene nanoparticles as fillers on the properties of the FRHC were examined. Graphene exhibited better reinforcement effects than MXene in terms of mechanical properties, water absorption, and flammability. Scanning electron microscopic studies were conducted to analyze the fractured surface topography of the FRHC.
POLYMER COMPOSITES
(2023)
Article
Engineering, Electrical & Electronic
Albert Veved, Geh Wilson Ejuh, Noel Djongyang
Summary: This study aims to evaluate the influence of pressure on the current and voltage output of a microgenerator. The PVDF-based microgenerator modified with hafnia and zircon nanofillers is sized according to the electrical energy needs of an agricultural sprayer. The microsystem is capable of converting the farmer's pressure energy into electrical energy to power the sprayer. The results show that a modified PVDF film with dimensions of 5 x 5 x 0.5 cm can achieve a minimum voltage of 15V and a minimum current of 10 amps, which is sufficient for powering a Geo Tech BP16DH agricultural sprayer. Additionally, PVDF/2HfO2 and PVDF/2ZrO2 composites exhibit the highest voltage and current due to their high piezoelectric coefficient.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Multidisciplinary
Linlin Miao, Chao Sui, Weizhe Hao, Yushun Zhao, Guoxin Zhao, Jiaxuan Li, Junjiao Li, Gong Cheng, Yuna Sang, Chenxi Zhao, Zhonghai Xu, Xiaodong He, Chao Wang
Summary: In this study, the impact-resistant fracture behaviors and energy dissipation mechanisms of MXene were systematically investigated using molecular dynamics simulation. It was found that MXene exhibits a specific penetration energy surpassing conventional impact-resistant materials, and two novel energy dissipation mechanisms were revealed. Furthermore, the atomic-layer structure of MXene can restrain crack propagation, enabling it to retain remarkable resistance.
Article
Multidisciplinary Sciences
Chi Zhang, Mingyang Chen, Sinan Keten, Benoit Coasne, Dominique Derome, Jan Carmeliet
Summary: Wood hygromechanics mechanisms remain unclear due to nanoscopic system size and highly coupled physics. This study uses molecular dynamics simulations to characterize wood polymers, revealing the dominating role of cellulose fiber in wood cell wall mechanics. The moisture-induced anisotropic swelling and weakening of wood cell wall is governed by the interplay of cellulose reinforcement, mechanical degradation of matrix, and fiber-matrix interface.
Article
Chemistry, Physical
Narayan Shirolkar, Prachi Patwardhan, Aowabin Rahman, Ashley Spear, Satish Kumar
Summary: The manufacturing of carbon fiber is a time-consuming and costly process, and the integration of machine learning and experimental techniques is crucial in understanding the processing-structure-property relationships. Research indicates that machine learning models can be used to approximate the effect of manufacturing process parameters on the mechanical properties of carbon fibers.
Article
Materials Science, Composites
Zhihang Wang, Erlei Bai, Yuhang Du, Gaojie Liu, Congjin Zhu
Summary: This study investigates the effect of temperature on the properties of polymer cement composite. The results show that temperature has a significant impact on the tensile property and shear property of the composite, with improved performance at low temperatures and deteriorated performance at high temperatures. The polymer cement composite is more suitable for use in cold areas.
POLYMER COMPOSITES
(2022)
Article
Chemistry, Physical
Qi-Wen Chen, Ze-Qing Guo, Jian-Ping Zhou
Summary: Multifunctional continuous solid solutions NFMTO-x were successfully synthesized via a one-step hydrothermal method by controlling the ratio of Mg and Fe. The NFMTO-x materials exhibited enhanced visible light response, effective adsorption and photocatalytic degradation of organic pollutants, CO2 methanation capability, and easy recyclability due to their magnetic properties. This research provides a significant multifunctional material for water purification.
APPLIED SURFACE SCIENCE
(2024)
Review
Chemistry, Physical
George E. Stan, Maziar Montazerian, Adam Shearer, Bryan W. Stuart, Francesco Baino, John C. Mauro, Jose M. F. Ferreira
Summary: Bioactive glasses have the ability to form strong bonds with tissues and release therapeutic ions. However, their biomechanical compatibility limits their use in load-bearing applications. The use of magnetron sputtering technology to fabricate BG coatings shows promise in improving their efficacy and potential for application.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zhaoxuan Wang, Zhicheng Yan, Zhigang Qi, Yu Feng, Qi Chen, Ziqi Song, Meng Huang, Peng Jia, Ki Buem Kim, Weimin Wang
Summary: The corrosion behavior of Fe-60 and Fe-83 ribbons in 0.6 M NaCl was studied. Fe-60 exhibited a local corrosion mode and formed a stable passivation film with higher corrosion resistance, while Fe-83 showed a combination of local and global corrosion modes and had lower corrosion resistance. Controlling the precipitation of nanocrystalline phases and increasing the POx content in the passivation film significantly improved the corrosion resistance of Fe-based glassy alloys.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hao-Kai Peng, Sheng-Yen Zheng, Wei-Ning Kao, Ting-Chieh Lai, Kai-Sheun Lee, Yung- Hsien Wu
Summary: This study investigates the effects of high energy/fluence proton radiation on the performance of HfZrOx-based FeFETs memory with different Zr content. The results show that the characteristics of FeFETs are influenced by proton radiation, and the extent of the influence depends on the Zr content. FeFETs with 50% Zr content exhibit minimal changes in memory window and demonstrate good endurance and retention performance.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zongyi Yue, Guangyi Wang, Zengguang Huang, Sihua Zhong
Summary: In this study, AZO and ITO films were successfully tuned as excellent passivation layers for c-Si surfaces, achieving effective minority carrier lifetime and outstanding optical properties through the optimization of annealing temperature and interfacial silicon oxide.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Martin Hruska, Jan Kejzlar, Jaroslav Otta, Premysl Fitl, Michal Novotny, Jakub Cizek, Oksana Melikhova, Matej Micusik, Peter Machata, Martin Vrnata
Summary: This paper presents a detailed study on the hydrogen sensing capabilities of highly nanoporous black gold films. The films exhibit fast response and recovery times at low temperatures. Different levels of nanoporosity were prepared and tested to investigate the sensing properties, and it was found that nanoporous black gold is suitable for hydrogen sensing. The sensitivity of the film depends on its nanoporosity.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yupu Wang, Gaofeng Teng, Chun To Yiu, Junyi Zhu
Summary: In the study of BM-SCO and HSCO thin films, it was found that H vacancies tend to prefer sites near the external surface or oxygen vacancy channels (OVCs), while H interstitials prefer sites of oxygen on a layer that contains six-fold coordinated Co. These findings not only enrich the understanding of complex surface phenomena of defect formation but also provide an explanation for the reversibility during phase transformation.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jiafeng Lu, Linping Teng, Qinxiao Zhai, Chunhua Wang, Matthieu Lancry, Ye Dai, Xianglong Zeng
Summary: In this study, we achieved full control of fiber nanograting orientation by manipulating laser polarization, and tailored space variant fiber nanogratings, which expanded the diversity in fiber nanograting engineering.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yibo Liu, Yujie Tao, Yue Liu, Qi Sun, Qinrong Lin, Kexin Kang, Qinghua Zhang, Qingjie Sun
Summary: This study investigates the wettability of the Ti-Cu-Fe multi-metal system, specifically the wetting behaviors of CuSi3 droplets on TC4 and 304SS plates. The results show that the CO2 + Ar gas atmosphere significantly affects interfacial mass transfer, thus influencing the wettability of the systems.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jimei Liu, Fei Wang, Rong Guo, Yuqi Liu, Mengyu Zhang, Jaka Sunarso, Dong Liu
Summary: This study developed Co/MXene composites with anti-corrosion properties by varying the cobalt content. These composites exhibited remarkable electromagnetic absorption performance and high resistance to corrosion under various corrosive conditions. The study also revealed the mechanism of electron transfer from cobalt to MXene and the electromagnetic dissipation behavior originated from polarization loss alone.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Moujie Huang, Yongsong Ma, Jingbo Yang, Lingyun Xu, Hangqi Yang, Miao Wang, Xin Ma, Xin Xia, Junhao Yang, Deli Wang, Chuang Peng
Summary: Strong metal-support interactions (SMSIs) are important for enhancing catalytic activities and stability in thermal catalysis. This study demonstrates a method to create SMSIs in electrocatalysis using carbon nanotubes and Ru nanoparticles, resulting in excellent catalytic activity and stability.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Ravi Trivedi, Brinti Mondal, Nandini Garg, Brahmananda Chakraborty
Summary: This study explores the potential of biphenylene as a nanocarrier for the delivery of the anticancer drug cisplatin. It is found that biphenylene offers physical stability, rapid release rate, solubility, and bio-compatibilities compared to other nanocarriers. The adsorption of cisplatin on the surface of biphenylene involves charge transfer from cisplatin to biphenylene. The drug is shown to be released at body temperature in an acidic environment. Biphenylene also exhibits excellent cytotoxicity activity and cellular uptake of the drug. Overall, biphenylene shows promise as a potential nanocarrier for cisplatin delivery.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hyun Jeong, Hyeong Chan Suh, Ga Hyun Cho, Rafael Salas-Montiel, Hayoung Ko, Ki Kang Kim, Mun Seok Jeong
Summary: In this study, a potential platform to enhance Raman scattering and increase the number of observable Raman modes in monolayer transition metal dichalcogenides (TMDs) was proposed. The platform consisted of large-scale arrays of gold micropillars (MPs), which were able to enhance the Raman intensity of TMDs and make difficult-to-detect Raman modes observable. The platform showed great industrial advantages and wide applicability due to its low cost, simple process, large controllable area, and short process time.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yasir Abbas, Shafqat Ali, Sajjad Ali, Waqar Azeem, Zareen Zuhra, Haoliang Wang, Mohamed Bououdina, Zhenzhong Sun
Summary: In this study, FeOx@SPNO-C core-shell nanospheres as a catalyst for degradation of sulfamethoxazole (SMX) were successfully synthesized. The synergistic interaction between FeOx and SPNO-C, high carbon charge density, and the presence of C = O groups and N/Fe-Nx sites were found to be key factors for the enhanced degradation of SMX.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Qiaoting Yang, Yuxiao Gong, Yan Qian, Zhou-Qing Xiao, Serge Cosnier, Xue-Ji Zhang, Robert S. Marks, Dan Shan
Summary: This study proposes a hierarchical confinement strategy to design Prussian blue nanoparticles (PB NPs) with satisfactory electrocatalytic ability and stability. The catalytic synthesis of PB NPs is achieved through a hydrothermal process, and the as-prepared PB@NH2MIL exhibits efficient electronic transmission and enhanced electrocatalytic properties.
APPLIED SURFACE SCIENCE
(2024)