相关论文: Revealing evolving affinity between Coulombic reve…

It is well-known that the microstructure of electrodes in lithium-ion batteries strongly affects their performance. Vice versa, the microstructure can exhibit strong changes during the usage of the battery due to aging effects. For a better…

We have studied hydrogen/lithium complexes in crystalline silicon using density-functional-theory methods and the ab initio random structure searching (AIRSS) method for predicting structures. A method based on the Maxwell construction and…

A rechargeable lithium metal battery (LMB), which uses metallic lithium at the anode, is among the most promising technologies for next generation electrochemical energy storage devices due to its high energy density, particularly when Li…

Lithium ion batteries (LIB) can feature reactive anodes that operate at low potentials, such as lithium metal or silicon, passivated by solid electrolyte interphase (SEI) films. SEI is known to evolve over time as cycling proceeds. In this…

Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries, their widespread commercial adoption is still hindered by significant volume expansion during cycling, especially at high active mass loadings crucial for…

The growing demand for efficient energy storage has driven the search for advanced anode materials for lithium- and sodium-ion batteries (LIBs and SIBs). In this context, we report the application of HOP-graphene (a 5-6-8-membered 2D carbon…

Finding new ionic conductors that enable significant advancements in the development of energy-storage devices is a challenging goal of current material science. Aside of material classes as ionic liquids or amorphous ion conductors, the…

The formation of stable copper-silicide (Cu3Si) interfaces is crucial for cost-effective, high-efficiency solar cells. However, copper's diffusivity and electromigration issues pose challenges for contact stability. This study employs…

The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics…

Resistive switching in amorphous silicon carbide (a-SiC) films deposited by a single composite target magnetron sputtering process is reported. Switching performance as a function of thickness of the films (50, 100 and 300 nm) as well as…

Accurately predicting the lifespan of lithium-ion batteries is crucial for optimizing operational strategies and mitigating risks. While numerous studies have aimed at predicting battery lifespan, few have examined the interpretability of…

A Li-conversion alpha-Fe2O3@C nanocomposite anode and a high-voltage LiNi0.5Mn1.5O4 cathode are synthesized in parallel, characterized, and combined in a Li-ion battery. alpha-Fe2O3@C is prepared via annealing of maghemite iron oxide and…

Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…

Understanding the mechanical properties of solid-state materials at the atomic scale is crucial for developing novel materials. For example, amorphous LiSi alloys are attractive anode materials for solid-state Li-ion batteries but face…

Manipulating the self-assembly nanostructures with combined different control measures is emerging as a promising route for numerous applications to generate templates and scaffolds for nanostructured materials. Here, the two different…

Graphite, the standard commercial anode for Li-ion batteries, is thermodynamically incompatible with Na-ion batteries, leading researchers to search for alternative C-based structures (e.g., hard carbon, expanded graphite). In a simplified…

The analysis is conducted to unveil how the non-adiabatic effects scale within the superconducting phase of lithium-decorated graphene (LiC$_{6}$). Based on the Eliashberg formalism it is shown that the non-adiabatic effects notably reduce…

The p-type amorphous/ n-type crystalline silicon (P+ a-Si/N+ c-Si) heterojunction was simulated for developing the solar cells with high conversion efficiency and low cost. The characteristic of such cells with different work function of…

Silicon carbide (SiC) is a highly promising material for the rapidly growing UV detection industry due to its visible-blindness, low dark current, and exceptional thermal and chemical stability. Despite these advantages, the performance of…

Using a new class of (BH4)- substituted argyrodite Li6PS5Z0.83(BH4)0.17, (Z = Cl, I) solid electrolyte, Li-metal solid-state batteries operating at room temperature have been developed. The cells were made by combining the modified…