Article
Materials Science, Multidisciplinary
Lizhen Hou, Yangyang Gao, Tursunay Yibibulla, Han Huang, Shiliang Wang
Summary: In this study, the Young's modulus of Sb2O3 nanowires with different diameters was measured within the temperature range of 300-650 K. It was found that the Young's modulus decreased linearly with increasing temperature. The temperature coefficient of Young's modulus showed a significant size dependence, with a larger coefficient for larger nanowire diameters. The observed thermomechanical behavior, including sublimation and melting of nanowires at elevated temperatures, provides valuable insights for the design and operation of high-temperature nanodevices using nanowires as building blocks.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Xuwei Cui, Wenlong Dong, Shizhe Feng, Guorui Wang, Congying Wang, Shijun Wang, Yekai Zhou, Xiaohui Qiu, Luqi Liu, Zhiping Xu, Zhong Zhang
Summary: Strain is an effective strategy to modulate the properties of 2D materials. Researchers have developed a novel rectangular-shaped bulge device to uniaxially stretch membranes and detect orientation-dependent properties of anisotropic 2D materials.
Article
Materials Science, Multidisciplinary
Jiangang Li, Xiao Lei, Jianhua Ding, Zhixiang Gao, Hua Wang, Yunlong Shi
Summary: The physical and mechanical properties of nanowires are strongly affected by surface effects. This study proposes a continuum theoretical scheme to describe the elastic property of nanowires, taking into consideration the decreasing influence of surface elasticity with increasing distance from the surface.
Article
Materials Science, Multidisciplinary
Nan Yang, Zheng Qian, Huaxian Wei, Miao Zhao
Summary: This study proposes a skew transformation (ST) to distort TPMS lattices at the design stage, in order to modify their mechanical anisotropies and tailor their deformations under uniaxial loading. The ST method enables a standard TPMS lattice to increase the direction-dependent modulus without changing the lattice's volume fraction, which is 38% higher than the theoretical Hashin-Shtrikman upper (HSU) bound for a sheet lattice. Furthermore, the ST method can be used to texture the local deformation, stress distribution, and failure form by constructing a cellular mechanical metamaterial.
MATERIALS & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
Changxing Cui, Wen Zhang, Feng Wang, Yanchao Li, Benqi Jiao, Jianrong Xue, Mingming Wu, Lian Zhou, Laiping Li
Summary: The microstructure evolution and mechanical properties of hydrogenated Zircaloy-4 tubes during the thermal decomposition process of precipitated hydrides were investigated. Nanoindentation tests were used to determine the mechanical properties in different states, showing that the modulus, hardness, and yield strength were the highest for the delta-hydrides and increased at 1273K.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2021)
Article
Electrochemistry
Yasmina Bencheikh, Ahmed Addad, Yannick Coffinier, Umesh Kumar, Pascal Roussel, Sabine Szunerits, Toufik Hadjersi, Mohammed A. Amin, Seddik El hak Abaidia, Rabah Boukherroub
Summary: In this study, silicon nanowire-TiO2 core-shell arrays were fabricated and treated with hydrogen, demonstrating improved capacitance and stability in electrochemical performance.
ELECTROCHIMICA ACTA
(2021)
Article
Physics, Applied
Tursunay Yibibulla, Yijun Jiang, Shiliang Wang, Han Huang
Summary: The study measured the Young's modulus of Fe-catalyzed SiC nanowires and found that as the diameter of the nanowires decreases, the modulus decreases as well, and the temperature has a greater impact on the modulus. These findings are crucial for the design and fabrication of high-temperature mechanical sensors based on SiC nanostructures.
APPLIED PHYSICS LETTERS
(2021)
Article
Biochemistry & Molecular Biology
Lizhao Liu, Lei Jiao, Xiaoming Huang
Summary: Hydrogenation is an effective method to open a band gap in metallic ?-graphene, expanding its applications in electronics. The mechanical properties of hydrogenated ?-graphene depend closely on the hydrogen coverage and arrangement, and exhibit mechanical anisotropy. The hydrogen coverage and arrangement also contribute to the mechanical strength and fracture behavior of hydrogenated ?-graphene.
JOURNAL OF MOLECULAR MODELING
(2023)
Article
Engineering, Geological
Partha Pratim Mandal, Joel Sarout, Reza Rezaee
Summary: This study experimentally investigates the mechanical properties of Goldwyer gas shale formation in Western Australia, and finds that the mechanical properties of shale are influenced by confining pressure and mineral composition, with significant differences between vertical and horizontal directions.
ROCK MECHANICS AND ROCK ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Rocio Barrio, Nieves Gonzalez, Alvaro Portugal, Carmen Morant, Jose Javier Gandia
Summary: Researchers propose using thin films based on silicon as electrodes in commercial lithium-ion batteries, which have higher storage capacity. By doping and optimizing the growth conditions, the stability and longevity of the batteries can be improved.
Article
Acoustics
Yan-Jing Guo, Xiao-Jing Yan, Hai-Xia Zhao, Xiao-Duo Wen, Jing Wang, Yuan-Yuan Du, Nan Wang, Yi Yang
Summary: Ultrasound real-time shear wave elastography has clinical application value in the diagnosis of cervical cancer.
JOURNAL OF ULTRASOUND IN MEDICINE
(2023)
Article
Polymer Science
Takafumi Aizawa
Summary: The Carbon dioxide (CO2)-assisted polymer compression method is used to plasticize and crimp polymer fibers. The degree of plasticization is crucial for this method. In this study, heat treatment was applied to obtain fibers with different degrees of crystallinity. The compression degree and hardness were compared using two types of sheets. The Young's modulus of porous polymers in the presence of CO2 varies significantly with slight differences in crystallinity, highlighting the importance of low crystallinity for polymer plasticization by CO2.
Article
Energy & Fuels
Chaoqi Wang, Martin Foldyna, Erik Johnson, Pere Roca i Cabarrocas
Summary: The study demonstrates the potential of triple radial junction silicon nanowire solar cells, fabricated using hydrogenated amorphous silicon, for applications requiring high voltages and large surface areas, such as water splitting. High open-circuit voltage and short-circuit current density were achieved by optimizing the SiNW density on substrates, showcasing the efficiency of these solar cells.
Article
Biophysics
Xiyao Shan, Shun Otsuka, Le Li, Yasuo Kawakami
Summary: This study identified the characteristics of triceps surae muscles and aponeuroses stiffness during graded isometric submaximal plantarflexion efforts in healthy male subjects. The results showed that the muscles and aponeuroses exhibited heterogeneous and anisotropic mechanical properties during muscle contractions. The stiffening effect of muscle belly may influence the mechanical properties of aponeuroses, especially for the lateral gastrocnemius.
JOURNAL OF BIOMECHANICS
(2021)
Review
Chemistry, Multidisciplinary
Sergei Vlassov, Dmitry Bocharov, Boris Polyakov, Mikk Vahtrus, Andris Sutka, Sven Oras, Veronika Zadin, Andreas Kyritsakis
Summary: In this critical review, we address the issue of the vast disagreement in reported elastic moduli values for nanostructures made of the same material. As a case study, we focus on ZnO nanowires, which have been extensively studied due to their remarkable physical properties and potential applications. Despite considering the same growth direction and crystal structure, there is a significant variation in reported Young's modulus values, ranging from 20 to 800 GPa. This work provides a critical overview and thorough analysis of existing experimental and theoretical studies in order to identify the most significant sources of errors and reliable results.
NANOTECHNOLOGY REVIEWS
(2023)
Article
Chemistry, Multidisciplinary
Shi-Qi Li, Xiangjun Liu, Xujun Wang, Hongsheng Liu, Gang Zhang, Jijun Zhao, Junfeng Gao
Summary: Edge termination is crucial for determining the properties of 2D materials. Ab initio simulations reveal a lowest-energy U-edge [ZZ(U)] reconstruction in bilayer phosphorene, reducing edge energy significantly and potentially dominating. Although ZZ(U) changes the topology of phosphorene nanoribbons, it is difficult to be identified through microscopy images. This edge reconstruction also enhances the thermal conductivity of PNR significantly compared with pristine and Klein edges.
Article
Chemistry, Physical
Yuan Chang, Panlong Zhai, Jungang Hou, Jijun Zhao, Junfeng Gao
Summary: The research shows that Se vacancies in PtSe2 can significantly enhance the efficiency of the hydrogen evolution reaction and also exhibit good catalytic properties for the oxygen evolution reaction. Defective PtSe2 produced via a chemical vapor deposition process is more efficient than Pt foils, indicating its potential for widespread applications.
ADVANCED ENERGY MATERIALS
(2022)
Article
Physics, Multidisciplinary
Xiaoqing Liang, Nan Gao, Zhi Zhao, Ruili Shi, Jijun Zhao
Summary: In this study, dual ruthenium atom-doped germanium clusters (Ru2Gen) were investigated using a comprehensive genetic algorithm and density functional theory (DFT) calculation. It was found that small clusters tend to adopt an exohedral structure with a Ru dimer as the core surrounded by Ge atoms. As cluster size increases, half-encapsulated structures start to form, and clusters with 12 to 15 atoms exhibit a geometry based on a regular pentagonal prism with additional Ge atoms. Certain clusters were found to have high structural and chemical stability, and possess a magnetic moment, which is different from the reported non-magnetism of monatomic doping.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
Article
Chemistry, Multidisciplinary
Ying Zhao, Qinxi Liu, Jianpei Xing, Xue Jiang, Jijun Zhao
Summary: The concept of planar hypercoordinate atoms, initially proposed in molecular systems, has now been expanded to 2D periodic systems. Through first-principles calculations, a stable FeSi2 monolayer with planar hexacoordinate Fe atoms has been predicted. This monolayer exhibits excellent thermal and kinetic stability, anisotropic mechanical properties, and room-temperature ferromagnetism.
NANOSCALE ADVANCES
(2022)
Article
Chemistry, Multidisciplinary
Qinxi Liu, Yanxia Wang, Ying Zhao, Yu Guo, Xue Jiang, Jijun Zhao
Summary: This paper proposes a family of 2D non-vdW Cr2TexSe3-x compounds, which have good oxidation resistance and air stability. These compounds exhibit obvious composition-dependent magnetic ordering.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Yuanyuan Wang, Jiajun Zhao, Jianhua Ding, Jijun Zhao
Summary: In this study, the formation and evolution of irradiation-induced helium bubbles driven by external applied stress in single-crystalline tungsten were investigated using the phase-field method. The model was validated by comparing with reported numerical results, focusing on the intrinsic lattice distortion patterns of voids and bubbles. The study found a strong correlation between the size and density of bubbles and the loading level.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2022)
Article
Chemistry, Physical
Wei Pei, Pengju Wang, Si Zhou, Jijun Zhao
Summary: This study proposes a strategy for controllable hydrogen fuel storage and retrieval via light-switched CO2-to-HCOOH interconversion. Palladium sulfide nanocluster catalysts with multiple specific functionalities are found through an inverse design approach. The study provides insights into the structure-property relationships and key factors governing the trade-off among various criteria.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Optics
Yan Han, Junfeng Gao, Yanhu Jiang, Xiaodan Wan, Jian-Guo Wan, Jijun Zhao
Summary: This study uses density functional theory calculations to investigate the structure and magnetism of a Mn trimer adsorbed on iridium-doped graphene. The results show that the Mn trimer prefers to locate on top of the Ir atom and forms a fully exposed high-symmetry configuration with large binding energy and hardness of rotation. The ferromagnetic ordering of the Mn trimer on iridium-doped graphene is enhanced five times compared to a free Mn trimer. This enhancement is attributed to the fixed long bond and the C (3v) symmetry of the Mn trimer constrained by the iridium-doped graphene.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2022)
Article
Chemistry, Physical
Xiaoben Zhang, Zhimin Li, Wei Pei, Gao Li, Wei Liu, Pengfei Du, Zhen Wang, Zhaoxian Qin, Haifeng Qi, Xiaoyan Liu, Si Zhou, Jijun Zhao, Bing Yang, Wenjie Shen
Summary: This study reveals the different effects of rutile and anatase phases on the reshaping and redispersion of Pt nanoparticles, achieving opposite catalytic activities by tuning their restructuring behaviors. This provides an effective route for designing catalysts with controlled catalytic structures and reactivities.
Article
Chemistry, Physical
Yan Zhu, Yinlu Gao, Xue Jiang, Jijun Zhao
Summary: In this theoretical study, the effect of vacancy defects on the magnetic properties of vanadium diselenide monolayers was examined. The results showed that the presence of Se vacancies led to weaker ferromagnetic coupling and a lower Curie temperature in VSe2.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Engineering, Electrical & Electronic
Ying Zhao, Qinxi Liu, Xue Jiang, Jijun Zhao
Summary: This study proposes a two-dimensional material, VNI, with both ferromagnetism and ferroelasticity. The dynamic, mechanical, and thermal stabilities of VNI are confirmed through calculations and simulations. The VNI monolayer exhibits a sizable in-plane magnetic anisotropic energy and a moderate ferroelastic switching barrier, with the magnetic anisotropy axis being adjustable through reversible ferroelastic strain. These findings provide insights for the design of nonvolatile-memory devices.
ACS APPLIED ELECTRONIC MATERIALS
(2022)
Article
Physics, Multidisciplinary
Yang Xiao-Wei, She Jie, Zhou Si, Zhao Ji-Jun
Summary: The study investigated the excited states and fluorescence properties of boron nitride cage clusters and other fullerene-like clusters through calculations, revealing that these clusters can emit light in the visible range with emission colors including red, orange, blue, and violet. The fluorescence characteristics vary with cluster size and elemental composition changes, affecting the emission wavelength and energy gap of excited states.
ACTA PHYSICA SINICA
(2022)
Article
Materials Science, Multidisciplinary
Chaoyu Li, Shengru Han, Zhifeng Liu, Jijun Zhao
Summary: Using first-principles calculations, this study identifies two extreme states in a synthesized binary fulleride, a superatomic Dirac state and a flat band with extreme effective mass. The coexistence of these states in a semiconductor opens the possibility of constructing Dirac field-effect devices with ultrafast carrier transport.
Article
Chemistry, Multidisciplinary
Yanxia Wang, Qinxi Liu, Xue Jiang, Yi Wang, Jijun Zhao
Summary: In this study, 2D half-metallic antiferromagnets (HMAFs) with both 100% spin polarization and zero net magnetic moment were achieved by alloying Nb with Mn in a 2D inorganic material. The results demonstrate the possibility of designing more 2D HMAFs and advancing next-generation antiferromagnetic spintronic devices.
Article
Chemistry, Physical
Xiaolong Wang, Weiwei Gao, Jijun Zhao
Summary: The study found that applying strain can adjust the excitonic properties of bilayer black phosphorene, changing the contribution of excitons to optical absorption and altering the shape of the first exciton. Strain can reduce the non-adiabatic coupling between VBM and CBM, increasing carrier lifetime.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)
