Article
Chemistry, Physical
Valdemir Ludwig, Alessandro Henrique de Lima, Lucas Modesto-Costa, Zelia M. Da Costa Ludwig, Joao Paulo Almeira de Mendonca, Welber Gianini Quirino, Fernando Sato
Summary: In this study, graphene oxide (GO) was synthesized and its vibrational properties were characterized for hydrated and lyophilized samples. Computational simulations showed a large polarization in the GO molecule due to strong hydrogen bonds formed between water molecules and oxygen functional groups. This led to broadening observed in the infrared and Raman spectra.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Analytical
Wenyao Liu, Wei Li, Chenxi Liu, Enbo Xing, Yanru Zhou, Lai Liu, Jun Tang
Summary: This paper presents a novel resonant magnetic sensor that utilizes a graphene nanomechanical oscillator and a magnetostrictive stress coupling structure. By changing the surface tension of graphene through the deformation of a Fe-Ga alloy caused by an external magnetic field, the resonance frequency of graphene is significantly altered, resulting in high sensitivity. By optimizing the sizes of the sensor components, the sensitivity can be further enhanced.
Article
Chemistry, Multidisciplinary
Dongchen Tan, Xuguang Cao, Jijie Huang, Yan Peng, Lijun Zeng, Qinglei Guo, Nan Sun, Sheng Bi, Ruonan Ji, Chengming Jiang
Summary: In this study, the different vibrations of monolayer Ti(3)C(2)Tx MXene piezo-resonators were investigated, achieving effective measurements of high-order resonant modes with low noise and high resolution. The functional groups of Ti(3)C(2)Tx MXene enabled a wide working range and excellent repeatability. These findings have important engineering applications.
Article
Chemistry, Physical
Florent Goujon, Aziz Ghoufi, Patrice Malfreyt
Summary: The study reveals the presence of a two-dimensional hydrogen bond network in the layer closest to graphene, and quantifies the strengthening of intermolecular interactions in liquids by calculating interface tension with a graphene monolayer.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Jiao Shi, Weihua Yu, Chunwei Hu, Haiyan Duan, Jiaxing Ji, Yuanyuan Kang, Kun Cai
Summary: In this study, the fracture properties and crack propagation path of pre-cracked graphene during tearing process were evaluated using molecular dynamics simulation. The results showed that loading speed, temperature, and loading direction significantly affected the crack propagation path. Tearing graphene can be achieved by changing the loading direction and conducting out-of-plane tearing.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Carlos P. Herrero, Jose A. Verges, Rafael Ramirez
Summary: In this study, the hydrogen dynamics on a graphene sheet is investigated in the presence of carbon vacancies. By conducting molecular dynamics simulations and analyzing the statistical data, it is found that hydrogen atoms can form stable C-H bonds with carbon atoms near vacancies on graphene. The diffusion of a single hydrogen atom on graphene exhibits stochastic jumps with an effective barrier of approximately 0.40 eV. The presence of two hydrogen atoms close to a vacancy leads to lower jump frequencies, indicating strong correlations in their atomic dynamics.
Article
Crystallography
Tikaram Neupane, Bagher Tabibi, Wan-Joong Kim, Felix Jaetae Seo
Summary: The study investigates the nonlinear refraction coefficients of graphene-oxide (GO) atomic layers in an aqueous base solution using spatial self-phase modulation (SSPM) of the optical field. The intensity distribution displays concentric diffraction rings due to the superposition of transverse wave vectors. The negative nonlinear refraction coefficient of GO and localized thermal vortex in the aqueous solution offer potential applications in thermal metrology and all-optical switching.
Article
Chemistry, Physical
Ivan S. Sokolov, Dmitry V. Averyanov, Fabrice Wilhelm, Andrei Rogalev, Oleg E. Parfenov, Alexander N. Taldenkov, Igor A. Karateev, Andrey M. Tokmachev, Vyacheslav G. Storchak
Summary: Recent discoveries of intrinsic two-dimensional magnets have opened up vast opportunities in addressing fundamental problems in condensed matter physics, with potential applications ranging from ultra-compact spintronics to quantum computing. However, the ever-growing material landscape of 2D magnets lacks carbon-based systems, which are prominent in other areas of 2D research. Investigations on monolayer EuC6 have revealed emergence of 2D ferromagnetism, but detailed studies on competing magnetic states are still needed.
Article
Thermodynamics
Yunqing Tang, Zhang Zhang, Lin Li, Juan Guo, Ping Yang
Summary: The study investigates the thermal transport properties across graphene/Si and graphene/SiC interfaces, revealing different mechanisms of enhancement of interfacial thermal conductance. The results provide insights into the understanding of interfacial thermal transport between graphene and semiconductors.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2022)
Article
Chemistry, Physical
Liang-Yan Guo, Sheng-Yuan Xia, Yaxiong Tan, Zhengyong Huang
Summary: With the rapid development of the economy, the problem of gas pollution has gained increasing attention, making the development of new gas sensing materials crucial. In this study, a SnO2-GeSe monolayer was constructed using the DFT method, and its gas-sensitive adsorption parameters for NO2, H2O, and CO2 gases were calculated and studied. The results revealed that the SnO2-GeSe monolayer exhibited good selectivity and sensitivity towards NO2, H2O, and CO2, with H2O being the most sensitive.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Analytical
Shuhua Cao, Qi Wang, Xufeng Gao, Shijie Zhang, Ruijin Hong, Dawei Zhang
Summary: This paper presents a tunable absorber based on an asymmetric grating composed of a graphene-dielectric-metal structure, with the absorption rate and wavelength in the near-infrared region adjustable by varying the Fermi energy of graphene and grating period. The influence of other geometrical parameters, incident angle, and polarization is analyzed through simulation. The proposed absorbers have potential applications as gas sensors, with a sensitivity of 200 nm/RIU and FOM up to 159 RIU-1.
Article
Chemistry, Multidisciplinary
Fang Yuan, Yanyu Jia, Guangming Cheng, Ratnadwip Singha, Shiming Lei, Nan Yao, Sanfeng Wu, Leslie M. Schoop
Summary: We develop a robust method for atomic-resolution visualization of monolayers and twisted-bilayer WTe2 (tWTe(2)), confirming their high crystalline quality and structural stability. Our findings provide important experimental information for modeling the physical properties of 2D WTe2 systems.
Article
Materials Science, Multidisciplinary
Luca Basta, Federica Bianco, Aldo Moscardini, Filippo Fabbri, Luca Bellucci, Valentina Tozzini, Stefan Heun, Stefano Veronesi
Summary: Spatially-resolved organic functionalization of monolayer graphene is achieved via low-energy electron beam irradiation, resulting in a local increase of the graphene chemical reactivity. The functionalization pattern is designed in a well-controlled way by creating structural defects using electron beam irradiation. The spatial distribution of the defects is investigated using atomic force microscopy and their effects on the graphene are studied using Raman spectroscopy and simulations.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Materials Science, Biomaterials
Martina Conti, Laura Andolfi, Erik Betz-Guttner, Simone Dal Zilio, Marco Lazzarino
Summary: Testing devices based on cell tracking are interesting diagnostic tools in medicine for antibiotics susceptibility testing and in vitro chemotherapeutic screening. The application of nanomechanical sensors in physiological conditions still needs to address crucial aspects such as the effects of viscous damping. We have designed a nanomechanical force sensor that operates at the interface between liquid and air to tackle this problem.
BIOMATERIALS ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Priti Kharel, Blanka E. Janicek, Sang Hyun Bae, Amanda L. Loutris, Patrick T. Carmichael, Pinshane Y. Huang
Summary: Here, we demonstrate atomic-resolution scanning transmission electron microscopy (STEM) imaging of light elements in small organic molecules on graphene. Our approach involves low-dose, room-temperature, aberration-corrected STEM to create high-quality composite images, with sufficient resolution to distinguish individual carbon and nitrogen atoms.
Article
Materials Science, Multidisciplinary
Jin-Xing Shi, Keiichiro Ohmura, Masatoshi Shimoda, Xiao-Wen Lei
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2018)
Article
Computer Science, Interdisciplinary Applications
Masatoshi Shimoda, Tomohiro Nagano, Jin-Xing Shi
STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION
(2019)
Article
Engineering, Civil
Jin-Xing Shi, Sho Kozono, Masatoshi Shimoda, Masahiro Takino, Daiki Wada, Yang Liu
ENGINEERING STRUCTURES
(2019)
Review
Chemistry, Analytical
Jin-Xing Shi, Xiao-Wen Lei, Toshiaki Natsuki
Summary: This paper reviews recent studies on carbon nanomaterials-based nano-force and nano-mass sensors, introduces the mechanism of frequency-based nano sensors, and summarizes modeling approaches and material property determination. Carbon nanomaterials exhibit higher sensitivity and performance in nano-mechanical sensors compared to traditional materials like silicon and ZnO, suggesting further investigations and potential applications in the future.
Article
Computer Science, Interdisciplinary Applications
Jin-Xing Shi, Kana Yoshizumi, Masatoshi Shimoda, Shinobu Sakai
Summary: Sandwich structures with heteromorphic cores have been studied in this research to enhance their critical thermal buckling behavior. A free-form optimization system was developed based on a gradient method to optimize the core shapes under a volume constraint, showing significant improvements in thermal buckling behavior. By specifying constraint conditions in the velocity analysis, the initial shape of specified parts in the heteromorphic core could be maintained, satisfying special engineering and structural design requirements.
STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION
(2021)
Article
Chemistry, Multidisciplinary
Xiao-Wen Lei, Kazuki Bando, Jin-Xing Shi
Summary: Carbon nanomaterials, such as CNTs and GSs, are used as resonators in vibration-based nanomechanical sensors due to their high stiffness and small size. DNTs, a new class of one-dimensional carbon nanomaterials, have diamond-like structures with sp(3) bonds formed by covalent interactions between multiple benzene molecules. By studying DNTs with lattice defects, the research shows that Young's modulus and natural frequency can be controlled by altering the density of defects, and DNTs have potential applications in nano-sensors.
Article
Chemistry, Multidisciplinary
Yoshitada Tomioka, Toshiaki Natsuki, Jin-Xing Shi, Xiao-Wen Lei
Summary: The study focuses on evaluating the impact characteristics of carbon nanomaterials, particularly the newly designed wavy graphene sheets, which demonstrate enhanced resistance to kinetic energy with increased disclination density. Impact tests show that the wavy graphene sheets possess excellent impact behavior, showing potential application as high-impact-resistant components in advanced NEMS.
Article
Chemistry, Multidisciplinary
Xiao-Wen Lei, Shungo Shimizu, Jin-Xing Shi
Summary: This study investigates the interlayer deformation of graphite under compression using molecular dynamics simulation and proposes a differential geometrical method to evaluate kink deformation. The effects of the number of graphene layers and lattice chirality on the mechanical behaviors of graphite are discussed. The results show that kink deformation occurs in compressed graphite when the strain is approximately 0.02.
Article
Materials Science, Multidisciplinary
Mengying Li, Xiao-Wen Lei
Summary: In this study, the mechanical properties of graphene/aluminum (Gr/Al) composites were investigated using molecular dynamics simulations. The addition of graphene significantly improved the stiffness and strength of the composites by preventing the propagation of dislocations at the interface. The deformation mechanism of the composites, as well as the dislocation movement in the aluminum matrix and the deformation characteristics of graphene, were studied.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Mengying Li, Peng-Fei Xu, Jin-Xing Shi, Xiao-Wen Lei
Summary: Recently, a new defect known as ripplocation has been discovered in layered materials. In this study, the affecting factors in ripplocation deformation of multilayer graphene (MLG) are investigated by combining mechanics and mathematics. Molecular dynamics simulation is performed to generate ripplocation deformation, and the effects of graphene layers and widths on ripplocation boundaries (RBs) are discussed. The study also proposes a mathematical method to evaluate the mean curvature and its relationship with the potential energy of compressed graphene layers. These findings are important for understanding and evaluating corrugated nucleation in layered structures, and can be applied to studying ripplocation deformation in other fields such as soil layers affected by earthquakes.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Agronomy
Guoqiang Li, Yang Yuan, Jiyang Zhou, Rui Cheng, Ruitong Chen, Xianmin Luo, Jinxing Shi, Heyu Wang, Boyang Xu, Youyu Duan, Jinkun Zhong, Xin Wang, Zhongxin Kong, Haiyan Jia, Zhengqiang Ma
Summary: Two loci inhibiting Fhb1 resistance to Fusarium head blight were identified through genome-wide association mapping and validated in biparental populations. These two loci, In1 and In2, are present in all wheat-growing areas worldwide and are of great significance for FHB resistance breeding using Fhb1.
THEORETICAL AND APPLIED GENETICS
(2023)
