After ultrafast laser irradiation, a target enters a poorly explored regime where physics of a solid state overlaps with plasma physics and chemistry, creating an unusual synergy-a warm dense matter state (WDM). We study theoretically the WDM kinetics and chemistry in a number of group III-metal oxides with highly excited electronic system. We employ density functional theory to investigate a possibility of nonthermal transition of the materials into a superionic state under these conditions. Atomic and electronic properties of the materials are analyzed during the transitions to acquire insights into physical mechanisms guiding such transformations.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983778PMC
http://dx.doi.org/10.1038/s41598-022-09681-0DOI Listing

Publication Analysis

Top Keywords

superionic states
4
states formation
4
formation group
4
group iii
4
iii oxides
4
oxides irradiated
4
irradiated ultrafast
4
ultrafast lasers
4
lasers ultrafast
4
ultrafast laser
4

Similar Publications

Revisiting the in-plane and in-channel diffusion of lithium ions in a solid-state electrolyte at room temperature through neural network-assisted molecular dynamics simulations.

Phys Chem Chem Phys

January 2025

Guizhou Provincial Key Laboratory of Computing and Network Convergence, School of Information, Guizhou University of Finance and Economics, Guiyang, Guizhou 550025, P. R. China.

Developing superionic conductor (SIC) materials offers a promising pathway to achieving high ionic conductivity in solid-state electrolytes (SSEs). The LiGePS (LGPS) family has received significant attention due to its remarkable ionic conductivity among various SIC materials. molecular dynamics (AIMD) simulations have been extensively used to explore the diffusion behavior of Li ions in LiGePS.

View Article and Find Full Text PDF

All-solid-state Li-S batteries with fast solid-solid sulfur reaction.

Nature

January 2025

Beijing Key Laboratory for Theory and Technology of Advanced Battery Materials, School of Materials Science and Engineering, Peking University, Beijing, China.

With promises for high specific energy, high safety and low cost, the all-solid-state lithium-sulfur battery (ASSLSB) is ideal for next-generation energy storage. However, the poor rate performance and short cycle life caused by the sluggish solid-solid sulfur redox reaction (SSSRR) at the three-phase boundaries remain to be solved. Here we demonstrate a fast SSSRR enabled by lithium thioborophosphate iodide (LBPSI) glass-phase solid electrolytes (GSEs).

View Article and Find Full Text PDF

Dissolution of CO in water followed by the subsequent hydrolysis reactions is of great importance to the global carbon cycle, and carbon capture and storage. Despite numerous previous studies, the reactions are still not fully understood at the atomistic scale. Here, we combined ab initio molecular dynamics (AIMD) simulations with Markov state models to elucidate the reaction mechanisms and kinetics of CO in supercritical water both in the bulk and nanoconfined states.

View Article and Find Full Text PDF

Rapid and reversible sodium-ion cathode materials for NASICON NaMnTiPBO achieved through Boron-substitution.

J Colloid Interface Sci

December 2024

School of Materials Science and Engineering, State Key Lab of Silicon and Advanced, Semiconductor Materials, Zhejiang University, Hangzhou 310027, PR China. Electronic address:

NaMnTi(PO) is a promising sodium-ion cathode material due to its relatively high specific capacity, excellent thermodynamic stability and low cost. However, unfavorable electron conductivity and slow kinetics limit its practical application. Here, a strategy of hetero and multivalent anion substitution is proposed to achieve high-rate performance and good capacity retention.

View Article and Find Full Text PDF

Solid polymer electrolytes have yet to achieve the desired ionic conductivity (>1 mS/cm) near room temperature required for many applications. This target implies the need to reduce the effective energy barriers for ion transport in polymer electrolytes to around 20 kJ/mol. In this work, we combine information extracted from existing experimental results with theoretical calculations to provide insights into ion transport in single-ion conductors (SICs) with a focus on lithium ion SICs.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!