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1.
Chemphyschem ; 25(3): e202300546, 2024 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-38009821

RESUMEN

The advanced electrolyte of liquid metal battery should have low melting point, low ionic solubility, low viscosity, high electric and thermal conductivities, and a suitable density between anode and cathode for declining the operating temperature and realizing the goal of saving-energy. In this study, an excellent quaternary LiF-LiCl-LiBr-LiI (9.1 : 30.0 : 21.7 : 39.2) electrolyte is refined by using thermodynamic models to balance various properties of LiX (X=F, Cl, Br, I) and meet the requirement of advanced electrolyte of liquid metal battery. The refined properties of electrolyte correspond to 2.398 g/cm3 for density, 0.286 mol% for solubility, 4.486 Ohm-1 cm-1 for ionic conductivity, and 0.609 W m-1 for thermal conductivity. The measured melting point is 609.1 K, which is lower than the current operating temperature of 723 K for the lithium-based liquid metal battery. The refined electrolyte consisted by quaternary halide molten-salt provides important references for preparing the advanced liquid metal battery.

2.
Phys Chem Chem Phys ; 2024 Oct 02.
Artículo en Inglés | MEDLINE | ID: mdl-39355876

RESUMEN

Liquid metal batteries have received considerable attention owing to their excellent properties. However, an electrolyte with low melting temperature is required to decrease operating temperature for the safety of liquid metal batteries and for saving energy. For revealing the mechanism of low liquefaction temperature, an empirical electron theory of solid molecules was used to study the thermal properties of pure lithium halides and their ternary-phase systems systematically. The theoretical bond lengths, melting points, liquefaction temperatures and mixed energies of pure lithium halides and their ternary phases match the experimental values well. The mechanism of liquefaction temperature for ternary lithium halides depends on their valence electron structures. The liquefaction temperature can be stabilized on a liquidus line or curve through the modulation of the constant number of covalent electrons (nc) and lattice electrons (nl). The liquefaction temperatures on various liquidus lines and curves are positively related to the linear density of valence electron pairs on the strong Li-X bond, bonding factor, and number of valence electrons in the s orbital but are negatively related to the number of valence electrons in the p orbital. With an increase in the linear density of the valence electron pair number and bonding factor, bond strength is enhanced, which increases the resistance of the strong Li-X bond against the break force induced by thermal phonon vibrations, and more thermal phonons with high vibrating energy are required for breaking the strongest Li-X bond at a higher temperature; therefore, the liquefaction temperature increases.

3.
Inorg Chem ; 61(5): 2402-2408, 2022 Feb 07.
Artículo en Inglés | MEDLINE | ID: mdl-35084827

RESUMEN

The valence electron structures (VESs) and thermal and magnetic properties of R2Co17 intermetallics with rhombohedral (R = Ce, Pr, Nd, Sm, Gd, and Tb) and hexagonal (R = Y, Dy, Ho, and Er) structures are studied systematically with the empirical electron theory of solids and molecules (EET). The calculated values, which cover the bond length, cohesive energy, melting point, magnetic moment, and Curie temperature, fit the experimental ones well. The study reveals that the thermal and magnetic properties of R2Co17 are strongly related to their VESs. It shows that the properties of R2Co17 can be modulated by covalence electron number nc/atom for cohesive energy and melting point, the 3d magnetic electrons of various Co sublattices for magnetic moment, the electron transformation from covalence electrons to 3d magnetic electrons for the moments of various Co sublattices, and molecular moment for Curie temperature. The structural stability of R2Co17 depends upon the distribution probability of covalence electrons on various bonds. The pseudobinary La-Co 2:17 phase can be stabilized by doping a transition metal into La2Co17 by modulating the covalence electron number per Co atom to be very close to the stable nc/Co range of rhombohedral LR2Co17 (LR=light rare earth).

4.
PLoS One ; 19(4): e0301632, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38669287

RESUMEN

The development of digital technology and the sharing economy has extended corporations' innovative activities beyond the corporation's boundaries, so it has become more urgent to govern the lack of social responsibility and alienation of platform corporations from the perspective of social agents. First, the platform's CSR classification and social responsibility governance's main content are analyzed in this research. Then, this study uses government agencies, platform corporations, users, and the public as governance subjects and compares governance decisions with and without public and user oversight. Finally, the optimal balance strategy for each governing subject, the optimal trajectory of governance volume, and the trajectory of total revenue are obtained. The study found that: 1) Public and user supervision can improve the governance volume while encourage the governance motivation of government agencies and platform corporations. 2) The level of user supervision effort has a greater impact on the total governance revenue than public supervision. 3) The revenue of the system and the governance volume are greater in a centralized decision-making process, indicating that those involved should co-operate in governance based on the principle of mutual benefit. 4) The platform corporation has an incompatible but unified relationship between its social duty and financial success.


Asunto(s)
Responsabilidad Social , Humanos , Toma de Decisiones , Agencias Gubernamentales/organización & administración
5.
PLoS One ; 18(7): e0289011, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-37478085

RESUMEN

In an innovation ecosystem, the digital transformation decisions and game mechanisms of entities are paramount issues to be studied. Consequently, this study constructs a digital transformation SD evolutionary game model based on expectancy theory and Lyapunov's first law to address the above issues. The results demonstrate the following: (1) Digital technology empowerment benefits, spillover effects, and supervision benefits are positively correlated with the willingness of the three players to engage in digital transformation; (2) Regardless of how the initial will of the players changes, the decision of the evolutionary game system is ultimately stable in (empower, transform, supervise). Compared with governments, platform centers, and nodal enterprises have a stronger will for digital transformation. However, the governments' will is the key to the convergence speed of the game system to the equilibrium point. (3) If the static/dynamic spillover effect can cover the transformation loss, even if the transformation profits of nodal enterprises are negative, nodal enterprises will still choose the game strategy of "transformation". When the government subsidies are less than the initial value of 2, the game system has two possible strategy choices: (empower, nontransform, nonsupervise) and (empower, transform, supervise). As such, this study can fill the research gaps and address the barriers to digital transformation among stakeholders.


Asunto(s)
Evolución Biológica , Ecosistema , Tecnología Digital , Lagunas en las Evidencias , Gobierno , Factor de Crecimiento Transformador beta , Teoría del Juego , China
6.
Dalton Trans ; 44(39): 17366-80, 2015 Oct 21.
Artículo en Inglés | MEDLINE | ID: mdl-26387782

RESUMEN

Multifunctional materials based on rare earth ion doped ferro/piezoelectrics have attracted considerable attention in recent years. In this work, new lead-free multifunctional ceramics of Ca1-x(LiHo)x/2Bi4Ti4O15 were prepared by a conventional solid-state reaction method. The great multi-improvement in ferroelectricity/piezoelectricity, down/up-conversion luminescence and temperature stability of the multifunctional properties is induced by the partial substitution of (Li0.5Ho0.5)(2+) for Ca(2+) ions in CaBi4Ti4O15. All the ceramics possess a bismuth-layer structure, and the crystal structure of the ceramics is changed from a four layered bismuth-layer structure to a three-layered structure with the level of (Li0.5Ho0.5)(2+) increasing. The ceramic with x = 0.1 exhibits simultaneously, high resistivity (R = 4.51 × 10(11)Ω cm), good piezoelectricity (d33 = 10.2 pC N(-1)), high Curie temperature (TC = 814 °C), strong ferroelectricity (Pr = 9.03 µC cm(-2)) and enhanced luminescence. These behaviours are greatly associated with the contribution of (Li0.5Ho0.5)(2+) in the ceramics. Under the excitation of 451 nm light, the ceramic with x = 0.1 exhibits a strong green emission peak centered at 545 nm, corresponding to the transition of the (5)S2→(5)I8 level in Ho(3+) ions, while a strong red up-conversion emission band located at 660 nm is observed under the near-infrared excitation of 980 nm at room temperature, arising from the transition of (5)F5→(5)I8 levels in Ho(3+) ions. Surprisingly, the excellent temperature stability of ferroelectricity/piezoelectricity/luminescence and superior water-resistance behaviors of piezoelectricity/luminescence are also obtained in the ceramic with x = 0.1. Our study suggests that the present ceramics may have potential applications in advanced multifunctional devices at high temperature.

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