Article
Chemistry, Multidisciplinary
Kouta Kondou, Masanobu Shiga, Shoya Sakamoto, Hiroyuki Inuzuka, Atsuko Nihonyanagi, Fumito Araoka, Masaki Kobayashi, Shinji Miwa, Daigo Miyajima, YoshiChika Otani
Summary: This study investigates chirality-induced current-in-plane magnetoresistance in a chiral molecule/ferromagnetic metal bilayer, and finds that the magnetoresistance is related to thermally driven spontaneous spin polarization in chiral molecules.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Physics, Multidisciplinary
Luyi Sun, Fangyuan Zhai, Zengqiang Cao, Xiaoyu Huang, Chunsheng Guo, Hongyan Wang, Yuxiang Ni
Summary: Anderson localization of phonons was observed in aperiodic boron nitride/carbon nanotube superlattices. The coexistence of aperiodicity and interfacial mixing was found to decrease thermal conductivity, while anharmonicity destroyed phonon localization at high temperatures. This work provides insights for designing thermoelectric materials with low thermal conductivity.
Article
Chemistry, Multidisciplinary
Bo Che, Zhiyuan Cai, Peng Xiao, Gang Li, Yuqian Huang, Rongfeng Tang, Changfei Zhu, Shangfeng Yang, Tao Chen
Summary: Thermal treatment is important for the crystallization and regulation of point defects in inorganic thin films. This study investigates the evolution of defects in Sb-2(S,Se)(3) solar cell films and provides insights for designing material synthesis strategies to control defects.
ADVANCED MATERIALS
(2023)
Article
Management
Dimitris Bertsimas, Yee Sian Ng, Julia Yan
Summary: The text discusses the challenges of mass transit in facing reliability issues, declining ridership due to budget constraints, and how to redesign bus networks to increase passenger flow. By using column generation, a holistic approach for designing transit networks is provided that scales to hundreds of stops.
OPERATIONS RESEARCH
(2021)
Article
Reproductive Biology
Keiko Tanaka, Yohei Hayashi, Asuka Takehara, Yumi Ito-Matsuoka, Masahito Tachibana, Nobuo Yaegashi, Yasuhisa Matsui
Summary: Inhibition of pyruvate uptake into mitochondria in fetal ovarian germ cells results in repressed early folliculogenesis, which may be a possible cause of defective folliculogenesis in humans. The abnormal pyruvate metabolism leads to insufficient Gdf9 expression, impacting early follicular dysgenesis.
BIOLOGY OF REPRODUCTION
(2021)
Article
Materials Science, Multidisciplinary
Lizhong Dong, Xulin Wei, Ming Ren, Jiangtao Di
Summary: A coaxial artificial muscle fiber consisting of a carbon nanotube (CNT) fiber core and a sheath of polycaprolactone (PCL) nanofibers was reported, enabling actuation in response to thermal at subzero temperatures. The CNT@PCL muscle fiber achieved a maximum contractile stroke of approximately 18% as the temperature changed from -130°C to 45°C under a pressure of 0.3 MPa. The actuation mechanism at subzero temperatures was analyzed and a temperature sensor based on this muscle fiber was developed, demonstrating its potential for applications in extreme low-temperature environments.
INTERNATIONAL JOURNAL OF SMART AND NANO MATERIALS
(2023)
Article
Optics
Ya-Xin Hu, Ren-Chao Jin, Xiao-Rui Zhang, Li-Li Tang, Jia-Qi Li, Jin Wang, Zheng-Gao Dong
Summary: The study focused on the spin-dependent optical torque on a 2D chiral plasmonic nanomotor when excited by circularly polarized lights, demonstrating a negative optical torque phenomenon under certain conditions. The calculated optical torque on the nanomotor is monotonically tunable based on the ellipticity of light, with the potential to modulate the spin-dependent rotation frequency significantly.
OPTICS COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Ke Tang, Dongbo Cheng, Meng Lin
Summary: This study investigates the potential of a solar-driven thermally regenerative electrochemical device (STREC) and proposes optimization and operational strategies based on a comprehensive thermodynamic model. The results show that the STREC device with a solar absorbing and reacting multifunctional electrode can achieve high solar-to-electricity efficiency under optimized conditions.
JOURNAL OF POWER SOURCES
(2023)
Article
Geosciences, Multidisciplinary
Dominik Hulse, Kimberly Lau, Sebastiaan J. van de Velde, Sandra Arndt, Katja M. Meyer, Andy Ridgwell
Summary: The study used Earth system models and geochemical records to show that in the end-Permian, increased temperature intensified microbial metabolism, leading to periodic deep-ocean anoxia and expansion of euxinic waters. The interactive effects of climate change and microbial activity were identified as a key driver of the massive biotic extinction event at the end of the Permian.
Article
Materials Science, Multidisciplinary
Zhendong Zhang, Bin Liang, Yaqing Chi, Yande Jiang, Yang Guo
Summary: This study investigates the effects of intrinsic defects on the carrier transport properties of zigzag single-walled carbon nanotubes through first-principles calculations. Three intrinsic defects, including Stone-Wales defects, single vacancy defects, and double vacancy defects, are considered. The results show that SW defects improve the carrier mobility of CNT (7, 0), while SV and DV defects hinder these properties. The band structure and current-voltage characteristics further support this conclusion. The effect of size on the carrier transport properties of intrinsically defective CNT (n, 0) n = 7-15 is also studied.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Minglu Dai, Chengxu Tu, Pengfei Du, Fubing Bao, Jianzhong Lin
Summary: Wind-dispersed seeds can rotate and fall like small vehicles with the help of the wind to achieve longer propagation distances. Inspired by this, we propose a novel bubble-driven three-bladed whirling-swimmer (WS) as a vehicle to travel in fluid. Different WS shapes with blade folding angles (Φ) ranging from 10 to 60 degrees were designed, and their swimming performance was evaluated.
Article
Chemistry, Physical
Mingbin Gao, Hua Li, Yu Tian, Junyi Yu, Mao Ye, Zhongmin Liu
Summary: Surface defects on zeolites restrict molecular transport and influence catalytic performance. This study investigates the effect of surface defects on molecular surface transport using spectroscopy, imaging techniques, and simulations, aiming to establish the relationship between terminal structure, mass transport, and performance. Isolated silanol is studied as an example, showing enhanced adsorptive interaction and narrowed 8-membered-ring pore on the external surface. More isolated silanol leads to higher diffusion barrier and hindered access to intracrystalline active sites.
Article
Physics, Multidisciplinary
R. D. H. Hinlopen, F. A. Hinlopen, J. Ayres, N. E. Hussey
Summary: Strange metals exhibit a linear increase in resistivity with magnetic field. The presence of strong anisotropic scattering can generate magnetoresistance, but it saturates at high magnetic field strengths. A bounded sector on the Fermi surface is required for the realization of quadratic-to-linear magnetoresistance.
PHYSICAL REVIEW RESEARCH
(2022)
Article
Thermodynamics
Qinghua Guo, Ying Zhen Li, Haukur Ingason, Zhiguo Yan, Hehua Zhu
Summary: This paper focuses on the flow structures and mass flow rates of smoke flows induced by fires in long transportation tunnels under natural ventilation. The study considers important factors such as heat release rate, tunnel width, and height. The mechanism of the smoke flow movement is explored, and it is found that a critical point exists dependent on the HRR and tunnel geometry. The results show that the critical point moves away from the fire source in wider or higher tunnels and is closer to the fire source for a higher HRR. A correlation is proposed to estimate the location of the critical point. The mass flow rates along the tunnel are calculated using different flow models, which produce satisfactory predictions if the vertical temperature profile is known.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2023)
Article
Forestry
Dace Cirule, Edgars Kuka, Matiss Kevers, Ingeborga Andersone, Bruno Andersons
Summary: The study found that besides UV radiation, LED lamps could lead to significant photodegradation of both TM and UM wood, resulting in noticeable color change, alteration in chemical structure, and formation of water-soluble components. TM wood showed improved photo-stability when exposed to UV radiation, while more changes in FTIR spectra were observed for TM than UM wood in the LED lamps experiment. Comparing TM and UM wood, the changes due to photodegradation were quite similar for TM wood of all species while significant differences were observed in the case of UM wood.
Article
Chemistry, Physical
Famin Yu, Yu Zhu, Yang Gao, Rui Wang, Wanrong Huang, Yi Gao, Zhigang Wang
Summary: This study reports a method to achieve direct chemical bonding using superatoms, which can maintain the original structures and electronic properties of metal clusters. A series of stable nanostructures were fabricated using supermolecules formed by two superatoms as basic units. This finding provides a new strategy for the bottom-up design of materials with collective properties.
Article
Chemistry, Physical
Rui Qi, Beien Zhu, Zhongkang Han, Yi Gao
Summary: Stability and activity of single-atom catalysts (SACs) in CO2 reduction reactions (CO(2)RRs) were investigated. Oxygen vacancies on metal oxide surfaces were found to stabilize single atoms, but only a fraction of them remained stable with the adsorption of intermediates. The stability was determined by the electronegativity and number of outer electrons of single atoms, the d-band center of metal oxides, and the relative coordination number of the adsorbed species.
Article
Chemistry, Multidisciplinary
Qiansong Zhou, Meng Zhang, Beien Zhu, Yi Gao
Summary: The stability and activity of dual-atom catalysts (DACs) on N-doped graphene were studied, and it was found that some DACs exhibit better catalytic activity in the hydrogen evolution reaction (HER) compared to single atom catalysts (SACs). The DAC of Re was identified as the most promising catalyst for HER. This study provides useful information for designing atomically-dispersed catalysts.
Article
Chemistry, Multidisciplinary
Le Li, Lei Ying, Yinyue Lin, Xiaodong Li, Xi Zhou, Guanlin Du, Yi Gao, Wenzhu Liu, Linfeng Lu, Jilei Wang, Liyou Yang, Shan-Ting Zhang, Dongdong Li
Summary: This work develops an easy-to-implement strategy to incorporate extra hydrogen in the Al2O3 passivation layer, and reveals the passivation mechanisms of the extra hydrogen through experimental analyses and theoretical calculations. By implementing this hydrogenated Al2O3 passivation layer in p-type crystalline silicon solar cells, an efficiency of 20.35% is achieved with a fill factor of 84.76%.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Yu Han, Xiao-Yan Li, Beien Zhu, Yi Gao
Summary: Surface reconstruction changes the atomic configuration of the metal surface, affecting its physical and chemical properties. This study combines DFT-based kinetic Monte Carlo simulation and ab initio thermodynamics to predict and characterize low-energy configurations of metal surface reconstructions in reactive environments. The results help to guide experimental investigations of reconstructed metal surfaces.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Materials Science, Multidisciplinary
Yanying Li, Xiaocang Han, Zhen Lu, Lei Ying, Xinyao Wang, Yuqiao Zeng, Yi Gao, Qing Chen, Pan Liu
Summary: Understanding phase transitions and pore formation during vapor phase dealloying (VPD) is essential for optimizing the microstructure and composition of nanoporous metals. Using a gamma-CoZn precursor alloy, researchers found a two-step dealloying process and identified the formation of a microsized porous intermediate phase and subsequent growth of nanoporous alpha-Co. By investigating the atomic-scale mechanisms using advanced microscopy techniques, the researchers discovered the preferential formation of the intermediate phase on specific crystal planes and dominant diffusion of vacancies on the {110} planes of the precursor. The insights gained from this study can provide a new approach to fine-tuning the pore structure and composition of nanoporous metals.
Article
Chemistry, Physical
Endong Wang, Yi Gao
Summary: Utilizing small-sized fullerenes as nanoreactors, researchers have found that hydrogen and water can react to form hyperhydrogenated water (H4O) under ambient conditions. The H4O molecule rotates freely in the cavity of the cages and maintains its structure during the simulations. Theoretical analysis suggests that H4O in the fullerene possesses high thermodynamic and chemical stability, which can be explained by electron transfer between H4O and the fullerene. This study highlights the potential of utilizing fullerenes as nanoreactors to provide confinement constraints for unexpected chemistry.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Meng Zhang, Yu Han, Wenwu Xu, Beien Zhu, Yi Gao
Summary: In this study, the reshaping of Ag, Ni, and Ir metal nanoparticles under a CO atmosphere was predicted using the multiscale structure reconstruction model. The structures of Ag nanoparticles were not significantly affected by temperature in the low-pressure environment, but changed significantly in high- and low-temperature environments. Ni and Ir nanoparticles were greatly influenced by the environment due to their stronger interactions with CO. This research demonstrates the structural changes of Ag, Ni, and Ir nanoparticles under different pressures and temperatures, providing theoretical guidance for in situ experiments and the rational design of nanocatalysts.
Article
Chemistry, Inorganic & Nuclear
Yichun Wu, Liuming Yan, Yuan Qian, Yi Gao
Summary: In this study, the lowest-energy structures of W-doped Li clusters were systematically explored using global-minimum optimization and density-functional theory calculations. The structures were found to evolve from a triangle structure to a polyhedron pyramid structure, and finally to an endohedral cluster with a W atom inside. Particularly, W@Li-12 was identified as a superatom with an icosahedral structure and a significant HOMO-LUMO gap of 1.56 eV. Ab initio molecular dynamics simulations confirmed the thermal stability of this cluster. The infrared spectrum showed two vibration peaks corresponding to the bending and stretching vibrations of the tungsten-lithium bond. The UV-Vis spectrum revealed two absorption peaks at the excitation energy of 2-4 eV, indicating the characteristics of orbital electron transition. This study lays the groundwork for understanding the mechanism of Li-W alloy in Li-ion batteries.
JOURNAL OF CLUSTER SCIENCE
(2023)
Article
Chemistry, Physical
Fei Wang, Songda Li, Ruiyang You, Zhongkang Han, Wentao Yuan, Beien Zhu, Yi Gao, Hangsheng Yang, Yong Wang
Summary: MnOx-CeO2 catalysts demonstrate significant potential in the NH3 selective catalytic reduction of NOx (NH3-SCR) reaction below 300 degrees C. Through experimental and theoretical analyses, this study reveals that electron transfer between MnOx and CeO2 induces the formation of surface oxygen vacancies on CeO2, enabling the establishment of Mn-redox and Ce-redox cycles for the activation of NH3 and O2, respectively, thereby enhancing the catalytic performance at low temperatures. This work provides a mechanistic understanding of the synergy between MnOx and CeO2, which can guide the rational design of low-temperature NH3-SCR catalysts.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Yiyang Liu, Hongliang Bao, Jinrong Yang, Xiao-Bin Fu, Ling Han, Jing Yang, Min Ge, Zheng Jiang, Yu-Ying Huang, Yuan Qian, Jian-Qiang Wang, Yi Gao, Hong-Tao Liu
Summary: A method of high dissolution of copper in molten LiCl-KCleutectic salt is reported, which results in the formation of nanoclusters with a few atoms in the salt. These nanoclusters can be frozen and maintained for over one year. By washing the solidified salt, ligand-free subnanometer copper clusters can be obtained, enabling low-cost scaled-up preparation of metal nanoclusters for fundamental research and industrial applications.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Xinyi Duan, Lei Ying, Xiao-Yan Li, Beien Zhu, Yi Gao
Summary: The catalytic activity of metal nanoparticles is influenced by the coordination environment of surface sites. In this study, Monte Carlo simulations were used to investigate the correlations between different sites on Pt nanoparticles in CO oxidation reactions. The results showed that low-coordinated sites favored CO adsorption and reaction, while oxygen mainly adsorbed on high-coordinated sites. Compared to other structures, step-terrace structures exhibited higher catalytic activity. These findings indicate that the catalytic performance is affected by the kinetic synergies between different sites, and a balance between low-coordinated and high-coordinated sites is crucial for optimizing the activity of Pt catalysts.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Endong Wang, Yi Gao
Summary: By utilizing small-sized fullerenes as nanoreactors, researchers discovered that a highly hydrogenated water species, H4O, can be formed under ambient conditions by combining H2 and H2O. The H4O molecules rotate freely inside the fullerene cages and show high thermodynamic and chemical stability, which can be attributed to electron transfer between H4O and the fullerene. This study highlights the potential of utilizing fullerenes as nanoreactors to facilitate unexpected chemical reactions.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
Junwei Yang, Wei Du, Yangjie Wang, Ning Wei, Jige Chen
Summary: This paper investigates the transport behavior of thermal and electric potential energy in graphene nanosheets using molecular dynamics simulations. It is found that thermal energy has a higher transport velocity than electric potential energy in response to flexural excitations, while electric potential energy has a higher transport velocity in response to planar excitations. The study also reveals the dependence of transport behavior on the excitation strength and provides insight into designing adjustable thermal and thermoelectric devices.
Article
Nanoscience & Nanotechnology
Renliang Zhang, Songyuan Li, Yaolong Li, Meifen Wang
Summary: This research simulated the movement of a nanomotor on a stretched carbon nanotube substrate using molecular dynamics method. The results showed that the nanomotor speed can be controlled by temperature gradient, axial strain, and size. The mechanism behind the motor's movement and speed control was found to be the thermophoretic force acting on the nanomotor. These findings provide a new method for controlling nanomotor speed and offer insights for nanomotor design and manufacturing.
JOURNAL OF NANO RESEARCH
(2022)
