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学者姓名：桑丽霞
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Abstract ：
Molten fluoride is considered as an attractive heat transfer and storage medium in advanced energy utilization facilities, but it is short of the necessary thermal and transport properties at high temperature. In this paper, the thermal and transport properties of the binary LiF-KF mixtures at 1073-1473 K are obtained by classical molecular dynamics. The deviation of simulated thermal conductivity of binary LiF-KF at 1073 K from experimental value is less than 19%. Moreover, the deviation of simulated viscosity of pure LiF at different temperatures from experimental value is around 10 %. It is indicated that reverse non-equilibrium molecular dynamics (RNEMD) is acceptable for describing fluoride salts. An exponential correlation is established between molar fraction of LiF and thermal conductivity at different temperatures. Furthermore, the macroscopic thermal and transport properties correlated with local structure are analyzed, especially the dependence of local structure on temperature and composition of LiF is discussed deeply. With temperature increasing, ion clusters are considered to be formed and overall structure become loose, which leads to reductions in density, thermal conductivity and viscosity. An increase in composition of LiF results in higher specific heat capacity, thermal conductivity and viscosity, which is related to the reduction of Li-Li bond length and the enhancement of interactions between F-. The comparison of properties enhancement of different compositions is completed through the analysis of the synergy coefficient of macroscopic properties. This work provides the basic data for the accurate design of hightemperature heat transfer system.
Keyword ：
Molecular dynamics simulation Molecular dynamics simulation Thermal-transport properties Thermal-transport properties Local structure Local structure Binary alkali fluorides salts Binary alkali fluorides salts
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| GB/T 7714 | Yang, Qifan , Sang, Lixia , Huang, Ji . Molecular dynamics simulation on thermal and transport properties of LiF-KF [J]. | JOURNAL OF MOLECULAR LIQUIDS , 2024 , 410 . |
| MLA | Yang, Qifan 等. "Molecular dynamics simulation on thermal and transport properties of LiF-KF" . | JOURNAL OF MOLECULAR LIQUIDS 410 (2024) . |
| APA | Yang, Qifan , Sang, Lixia , Huang, Ji . Molecular dynamics simulation on thermal and transport properties of LiF-KF . | JOURNAL OF MOLECULAR LIQUIDS , 2024 , 410 . |
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Abstract ：
It is important to understand the thermophysical properties and structure of the molten salt as heat transfer medium for the supercritical CO2 power generation. Molecular dynamics simulation was used in this paper to study the structure and properties of the novel 0.259KNO(2)-0.687KNO(3)-0.054K(2)CO(3) molten salt, including radial distribution function, coordination number, angular distribution function, self-diffusion coefficient, density, thermal conductivity, viscosity and heat capacity. The intra-molecular potential parameters of KNO2 and K2CO3 were calculated during the simulation, and the satisfactory accuracy at high temperature for the complex mixed molten salts was verified. The relation between the microstructure and physical properties of the specific molten salts was discussed. The computed values for density, thermal conductivity, and specific heat closely match the experimental data. The results show that with the increase of temperature, the thermal conductivity, the density and viscosity all decreases, the distance of ion clusters and the self-diffusion coefficient increases but the configuration of K+-NO3- hardly changes. The results of radial distribution function, coordination number and angular distribution function show that the K2CO3 component of ternary salt weakens the interaction of K+-NO3- and enhances the interaction of K+-NO2- and K+-CO23-. It is also further indicated that the addition of K2CO3 can reduced the K+-K+ distance and diffusion coefficient in nitrate. The instability of NO2--K+-NO2- configuration results in the large diffusion coefficient of NO2- in the ternary molten salt system.
Keyword ：
Molecular dynamic Molecular dynamic Local structure Local structure Physical properties Physical properties Energy storage Energy storage Molten salts Molten salts
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| GB/T 7714 | Huang, Ji , Sang, Lixia , Yang, Qifan et al. Molecular dynamics simulation of the microstructure and physical properties of KNO2-KNO3-K2CO3 [J]. | SOLAR ENERGY MATERIALS AND SOLAR CELLS , 2024 , 277 . |
| MLA | Huang, Ji et al. "Molecular dynamics simulation of the microstructure and physical properties of KNO2-KNO3-K2CO3" . | SOLAR ENERGY MATERIALS AND SOLAR CELLS 277 (2024) . |
| APA | Huang, Ji , Sang, Lixia , Yang, Qifan , Wu, Yuting . Molecular dynamics simulation of the microstructure and physical properties of KNO2-KNO3-K2CO3 . | SOLAR ENERGY MATERIALS AND SOLAR CELLS , 2024 , 277 . |
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Abstract ：
The growing interest in the thermoplasmonics effect hasbegun topenetrate into multi-nanoparticle systems and their mechanisms. Inthis study, Au and Ag nanoparticle arrays and Au/Ag-substratecomposite structures were constructed, and the effects of particlespacing, polarized light direction, and substrate on their thermoplasmonicsproperties were studied by the finite element method combined withoptical and heat-transfer theory. Taking the particle size of Au andAg as 20 nm in multi-particle systems, it is found that the variationof particle spacing and polarization direction can cause significantchanges on light-absorbing and heat production properties based onthe plasmon coupling and collective thermal mechanism, and the lightabsorption and heat production properties of Ag are better than Au.Following study is focused on Au/Ag multi-particles embedded in thesubstrates of ITO and TiO2 with different refractive indices,the changes in the absorption spectrum, light absorption intensity,heat production capacity of multi-particles caused by substrate materials,and the embedding depth under longitudinal and transverse polarizationare discussed. Moreover, it is revealed that Fano resonance is generatedwhen the number of Au particles is increased to 16 and above in thesystem with or without substrates, resulting in Fano linear in theabsorption curve. This study will provide some important insightsinto the exploration and application of the thermoplasmonics effectof multi-particles.
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| GB/T 7714 | Sang, Lixia , Wang, Chong , Zhao, Yue et al. Thermoplasmonics Effect of Au and Ag Multi-nanoparticles: Influence of Polarized Light Direction, Particle Spacing, and Substrates [J]. | JOURNAL OF PHYSICAL CHEMISTRY C , 2023 , 127 (30) : 14666-14678 . |
| MLA | Sang, Lixia et al. "Thermoplasmonics Effect of Au and Ag Multi-nanoparticles: Influence of Polarized Light Direction, Particle Spacing, and Substrates" . | JOURNAL OF PHYSICAL CHEMISTRY C 127 . 30 (2023) : 14666-14678 . |
| APA | Sang, Lixia , Wang, Chong , Zhao, Yue , Ren, Zhiyong . Thermoplasmonics Effect of Au and Ag Multi-nanoparticles: Influence of Polarized Light Direction, Particle Spacing, and Substrates . | JOURNAL OF PHYSICAL CHEMISTRY C , 2023 , 127 (30) , 14666-14678 . |
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Abstract ：
MoS2 has expected to become a promising non-precious metal catalyst for hydrogen evolution from water electrolysis, and its performances need to be improved by optimizing its active sites. In this paper, two-dimensional flake MoS2 was synthesized on three-dimensional conductive carbon cloth(CC) by hydrothermal method. When adjusting the reaction temperature from 200 celcius to 180 celcius, 1T phase with more active sites of MoS2 can be reserved, and the corresponding MoS2(180)/CC electrode exhibits a relatively lower hydrogen evolution overpotential. Ag/MoS2 (180)/CC and Au/MoS2(180)/CC were prepared by deposing Ag and Au nanoparticles on MoS2(180)/CC via electrochemical process, respectively. Based on characterization of scanning electron microscopy(SEM), X-ray diffraction(XRD), X-ray photoelectron spectroscopy(XPS) and measurements of polarization curves, electrochemi ⁃ cal impedance spectroscopy(EIS) and Tafel slope of the resultant electrodes with and without illustration as well as heating, it can be found that the overpotentials and current densities of Ag/MoS2(180)/CC and Au/MoS2(180)/CC can be improved due to the deposition of 20 nm Ag and 30 nm Au or the condition of irradiation, and the role of temperature rise is related to the type of metal. Furthermore, MoS2, Ag/MoS2 and Au/MoS2 models were constructed by using the COMSOL Multiphysics software, and the electric field and temperature field under illumination were simulated and calculated, confirming thermoplamonics effect of Ag and Au nanoparticles and its role in accelerating the kinetics of the electrode reaction and improving the hydrogen evolution performance of electrolyzed water.
Keyword ：
MoS2 nanosheets MoS2 nanosheets Electrolysis of water Electrolysis of water Hydrogen evolution overpotential Hydrogen evolution overpotential Thermoplamonics effect Thermoplamonics effect Plasmonic metal Plasmonic metal
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| GB/T 7714 | Sang, Lixia , Ma, Mengnan . (Ag, Au)/MoS(2 )as Electrocatalyst for Water Splitting and Its Thermoplamonics Effect [J]. | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE , 2023 , 44 (6) . |
| MLA | Sang, Lixia et al. "(Ag, Au)/MoS(2 )as Electrocatalyst for Water Splitting and Its Thermoplamonics Effect" . | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 44 . 6 (2023) . |
| APA | Sang, Lixia , Ma, Mengnan . (Ag, Au)/MoS(2 )as Electrocatalyst for Water Splitting and Its Thermoplamonics Effect . | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE , 2023 , 44 (6) . |
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Abstract ：
Direct particle receiver of the concentrated solar power (CSP) with a supercritical CO2 (sCO2) Brayton cycle is based on the solid particles to achieve high efficiency at high temperature. Among all kinds of solid particles, desert sand is abundant and cheap, however its solar weighted absorptance and thermal stability remain to be improved. In this work, the dark desert sands were obtained by in-situ coating transition metal oxides via sol-gel combustion process. The thermal stability of the resultant samples was analyzed according to the changes in composition, morphology and optical properties before and after thermal treatment at 800 degrees C for 200 h. Based on the characterization of UV-Vis-NIR diffuse reflectance spectroscopy, the solar weighted absorptance of each sample was calculated. Compared with the original particles, all of dark desert sands have the improved solar weighted absorptance, and the highest value of 0.8635 belongs to desert sand coated with spinel CuMn2O4. Moreover, compared to the original desert sand, each dark desert sand has superior thermal stability. In addition, the specific heat of particles was measured at different temperatures, and it is found that the coating has lesser effects on the specific heat of desert sand. The solar weighted absorptance of dark desert sand nearly unchanged after attrition and the coating remained well maintained on the surface of the sample. This work provides a practical and feasible way to enhance the solar weighted absorptance and thermal stability of desert sand, making it possible to apply in sCO2 CSP.
Keyword ：
Transition metal oxides Transition metal oxides Solar weighted absorptance Solar weighted absorptance Desert sand Desert sand Thermal stability Thermal stability CSP CSP
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| GB/T 7714 | Sang, Lixia , Wang, Kaiyin , Wu, Yuting et al. The improved solar weighted absorptance and thermal stability of desert sand coated with transition metal oxides for direct particle receiver [J]. | SOLAR ENERGY MATERIALS AND SOLAR CELLS , 2022 , 251 . |
| MLA | Sang, Lixia et al. "The improved solar weighted absorptance and thermal stability of desert sand coated with transition metal oxides for direct particle receiver" . | SOLAR ENERGY MATERIALS AND SOLAR CELLS 251 (2022) . |
| APA | Sang, Lixia , Wang, Kaiyin , Wu, Yuting , Ma, Chongfang . The improved solar weighted absorptance and thermal stability of desert sand coated with transition metal oxides for direct particle receiver . | SOLAR ENERGY MATERIALS AND SOLAR CELLS , 2022 , 251 . |
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Abstract ：
A supercritical CO2 (sCO(2)) Brayton cycle solar power system based on solid particle thermal energy storage is proposed to enhance the efficiency of concentrated solar power (CSP). The effective thermal conductivity and thermal cycling stability of solid particles are crucial for sCO(2) CSP applications. Some natural and artificial solid particles, such as black silicon carbide, green silicon carbide, white corundum, brown corundum, brown ceramsite sand, garnet, river sand and desert sand are considered as potential thermal energy storage medium due to its low cost and easy availability in large quantities. However, there are few studies about the effective thermal conductivity and stability of these solid particles after thermal cycling tests. In this study, the effective thermal conductivity of these solid particles was measured by the hot wire method. Particularly, the effective thermal conductivity of black silicon carbide and green silicon carbide was measured by modified hot wire method. In addition, the changes of mass, real density, bulk density, void fraction and mean diameter of the above-mentioned solid particles after 100 times thermal cycling tests were also recorded to analyze thermal cycling stability. Based on the results of all the above tests, green silicon carbide exhibits high effective thermal conductivity and good thermal cycling stability, which presents a great potential as a thermal energy storage medium.
Keyword ：
Effective thermal conductivity Effective thermal conductivity sCO(2) concentrated solar power sCO(2) concentrated solar power Solid particles Solid particles Thermal cycling tests Thermal cycling tests The hot wire method The hot wire method
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| GB/T 7714 | Sang, Lixia , Wang, Kaiyin , Zhang, Ran et al. Effective thermal conductivity and thermal cycling stability of solid particles for sCO(2) CSP applications [J]. | SOLAR ENERGY MATERIALS AND SOLAR CELLS , 2022 , 242 . |
| MLA | Sang, Lixia et al. "Effective thermal conductivity and thermal cycling stability of solid particles for sCO(2) CSP applications" . | SOLAR ENERGY MATERIALS AND SOLAR CELLS 242 (2022) . |
| APA | Sang, Lixia , Wang, Kaiyin , Zhang, Ran , Wang, Yuancong , Wu, Yuting . Effective thermal conductivity and thermal cycling stability of solid particles for sCO(2) CSP applications . | SOLAR ENERGY MATERIALS AND SOLAR CELLS , 2022 , 242 . |
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Abstract ：
In this paper, plasmonic Ag and Cu nanoparticles were co-deposited on TiO2 nanoring/nanotube arrays (TiO2 R/T) by using two-step pulse electrodeposition method for investigating the optical and photoelectrochemical properties, in comparison to monometallic Ag, Cu decoration. By optimizing the electrodeposition cycle times and electrolyte concentration, bimetallic Ag-Cu/TiO2 R/T-0.5 with moderate densities and sizes of Ag and Cu nanoparticles was fabricated and shows great photocatalytic potential, in which, Ag mainly facilitates the generation of hot electrons by absorbing visible light and Cu plays an important role in accelerating the separation and transportation of hot electrons. The hydrogen production rate was tested as 425 mu L h(-1) cm(-2), which is about 1.34-fold enhanced H2 production over TiO2 R/T. Furthermore, molecular dynamics simulations were made for analyzing the interface electrostatic properties between plasmonic nanoparticles of Ag or Cu and the semiconductor TiO2. It is calculated that bimetallic Ag-Cu/TiO2/H2O system has larger interfacial Helmholtz potential than monometallic Ag/TiO2/H2O, Cu/TiO2/H2O and pure TiO2/H2O systems, accelerating the four-electron reaction occurring at the semiconductor/electrolyte interface. This research put forward a feasible and simple pulse electrodeposition method to fabricate bimetallic photoanodes for enhanced hydrogen evolution and an important analysis method of semiconductor/ metal/electrolyte interface characteristics. (C) 2022 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan.
Keyword ：
Interface electrostatic properties Interface electrostatic properties Photoelectrochemical water splitting Photoelectrochemical water splitting Deposition density Deposition density Bimetallic Ag-Cu nanoparticles Bimetallic Ag-Cu nanoparticles Pulse electrodeposition method Pulse electrodeposition method
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| GB/T 7714 | Lei, Lei , Sang, Lixia , Gao, Yunlong . Pulse electrodeposition of Ag, Cu nanoparticles on TiO2 nanoring/nanotube arrays for enhanced photoelectrochemical water splitting [J]. | ADVANCED POWDER TECHNOLOGY , 2022 , 33 (3) . |
| MLA | Lei, Lei et al. "Pulse electrodeposition of Ag, Cu nanoparticles on TiO2 nanoring/nanotube arrays for enhanced photoelectrochemical water splitting" . | ADVANCED POWDER TECHNOLOGY 33 . 3 (2022) . |
| APA | Lei, Lei , Sang, Lixia , Gao, Yunlong . Pulse electrodeposition of Ag, Cu nanoparticles on TiO2 nanoring/nanotube arrays for enhanced photoelectrochemical water splitting . | ADVANCED POWDER TECHNOLOGY , 2022 , 33 (3) . |
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Abstract ：
Hierarchical Ag/SiO2/TiO2 nanobowl (NB) arrays were fabricated for use as plasmonic photoanodes for solar-hydrogen conversion. The nanobowls had large pore size and were composed of an upper TiO2 nanoring and a lower TiO2 nanohole. A thin SiO2 inter-layer was introduced as an electron transmission channel to change the mechanism of hot electron transport. Simulations were performed to characterize the variation of electron concentration in Ag/SiO2/TiO2 NB arrays, taking into account both the optical transition of photogenerated electrons, and electron tunneling. The multiphysics coupling function of COMSOL software provided the light source for optical transition of photogenerated electrons, and a Wentzel-Kramers-Brillouin model was employed to represent the tunneling. The results demonstrate that the TiO2 nanoring was a transporter, which transmitted electrons downward to the nanohole. The SiO2 layer replaces the Schottky barrier to become a bridge for tunneling of hot electrons in high- and low-energy states into TiO2. Moreover, the coverage of the SiO2 layer helped increase the light absorption of TiO2, it also reduced the near electric field coupling between Ag and TiO2. Accordingly, under AM 1.5 light irradiation, the photocurrent density and average hydrogen evolution rate of Ag/SiO2/TiO2 were 1.8 and 2.2 times higher, respectively, than those of pure TiO2, implying far more efficient migration of carriers.
Keyword ：
SiO2 layer SiO2 layer nanobowl nanobowl tunneling tunneling hot electron hot electron Wentzel-Kramers-Brillouin (WKB) approximation Wentzel-Kramers-Brillouin (WKB) approximation
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| GB/T 7714 | Yu, Zexin , Sang, Lixia , Cao, Angran et al. Oriented electron tunneling transport in hierarchical Ag/SiO2/TiO2 nanobowl arrays for plasmonic solar water splitting [J]. | NANO RESEARCH , 2021 , 15 (2) : 1593-1602 . |
| MLA | Yu, Zexin et al. "Oriented electron tunneling transport in hierarchical Ag/SiO2/TiO2 nanobowl arrays for plasmonic solar water splitting" . | NANO RESEARCH 15 . 2 (2021) : 1593-1602 . |
| APA | Yu, Zexin , Sang, Lixia , Cao, Angran , Gao, Yunlong . Oriented electron tunneling transport in hierarchical Ag/SiO2/TiO2 nanobowl arrays for plasmonic solar water splitting . | NANO RESEARCH , 2021 , 15 (2) , 1593-1602 . |
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Abstract ：
Bimetallic nanostructures have been endowed with the function of enhancing photon absorption and charge separation for photo-hydrogen conversion. Bimetallic CuAg/TiO2 nanotube arrays (TNTAs) were synthesized with the different ratios of precursors Cu2+ and Ag+ (1 : 3, 1 : 1, and 3 : 1) and their local electric field distribution was characterized by means of COMSOL software. The results demonstrate that the increase of the amount of Cu particles has an active effect on the inhibition of the hot spot effect between Ag particles. In addition, the current flow between Ag and Cu verified the "double take" of Cu particles. They receive hot electrons transferred from Ag, and also provide injected hot electrons for TiO2. Based on X-ray photoelectron spectroscopy, the binding energy shifts in a CuAg bimetal with different metal ratios, indicating the electron transfer behavior from Ag to Cu. When an optimal proportion of the CuAg bimetal is 3 : 1, the photocurrent density and average hydrogen evolution rate of CuAg/TNTAs were 1.78 and 1.69 times higher, respectively, than those of pure TNTAs, implying far more efficient migration of hot electrons.
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| GB/T 7714 | Yu, Zexin , Gao, Yunlong , Sang, Lixia et al. Probing into the double identity of Cu in bimetallic CuAg-TNTA hot-electron devices for photo-hydrogen conversion [J]. | CATALYSIS SCIENCE & TECHNOLOGY , 2021 , 11 (19) : 6529-6536 . |
| MLA | Yu, Zexin et al. "Probing into the double identity of Cu in bimetallic CuAg-TNTA hot-electron devices for photo-hydrogen conversion" . | CATALYSIS SCIENCE & TECHNOLOGY 11 . 19 (2021) : 6529-6536 . |
| APA | Yu, Zexin , Gao, Yunlong , Sang, Lixia , Lei, Lei . Probing into the double identity of Cu in bimetallic CuAg-TNTA hot-electron devices for photo-hydrogen conversion . | CATALYSIS SCIENCE & TECHNOLOGY , 2021 , 11 (19) , 6529-6536 . |
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Abstract ：
In order to simplify the complex process of preparing TiO2 nano bowl array by traditional method, the basic principle of two-step anodizing method was adopted. Namely, during the first and second anodizing process, oxidation voltage and electrolyte concentration all keep as before, but varying the anodizing time. The first anodizing time is 1 hour, and the second anodizing time changes from 0 s to 140 s. After the first anodizing, as the initial oxide layer for the second anodization, the residual bowl like pits on the surface of Ti-sheet may undergo three stages of growth. Firstly, the TiO2 barrier began to grow longitudinally at the bottom of the pit. Then the dissolution of the electrolyte at the edge of the bowl took effect, and nano pores appeared in the bowl. Secondly, the longitudinal growth rate of the barrier layer and the dissolution rate of the electrolyte reached a relative balance. The bottom center of the TiO2 barrier layer was first corroded, then the corrosion position changed around the bowl edge, and other nanopores were corroded laterally. Thirdly, the relationship between the longitudinal corrosion rate and the transverse corrosion rate was constantly changing, which showed that the depth of the nanopore in the bowl increased all the time, but the diameter of the bowl and the pore first increased and then decreased. Under the condition of the growth rate of TiO2 barrier layer was in relative equilibrium with the chemical dissolution rate of electrolyte, and the longitudinal corrosion rate was relatively consistent with the transverse corrosion rate, TiO2 nano bowl array with large pore diameter was synthesized. The optimal second anodizing time was 110 s, and the diameter of bowl was 133 nm. © All right reserved.
Keyword ：
Nanopores Nanopores Growth rate Growth rate Dissolution Dissolution Titanium dioxide Titanium dioxide Corrosion rate Corrosion rate Electrolytes Electrolytes Oxide minerals Oxide minerals
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| GB/T 7714 | Yu, Zexin , Sang, Lixia . Preparation and Formation Mechanism of a Novel TiO2 Nano Bowl Array with Large Hole Diameter [J]. | Chinese Journal of Materials Research , 2020 , 34 (7) : 489-494 . |
| MLA | Yu, Zexin et al. "Preparation and Formation Mechanism of a Novel TiO2 Nano Bowl Array with Large Hole Diameter" . | Chinese Journal of Materials Research 34 . 7 (2020) : 489-494 . |
| APA | Yu, Zexin , Sang, Lixia . Preparation and Formation Mechanism of a Novel TiO2 Nano Bowl Array with Large Hole Diameter . | Chinese Journal of Materials Research , 2020 , 34 (7) , 489-494 . |
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