Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
April 19, 2026The Journal of Physical Chemistry C

Unveiling High Capacity and Fast Sodium Diffusion in Ti 2 C/Sn 4 P 3 /Ti 2 C Anode for Sodium-Ion Batteries via Density Functional Theory and Ab Initio Molecular Dynamics Simulation

View Full Paper
Ask AI
Bookmark
Share

Authors

PZPeng ZhangZhejiang Sci-Tech UniversityCCChao ChenZhejiang Sci-Tech UniversityJZJiashuo ZhangZhejiang Sci-Tech University

Discussion

Loading...

Member takes

Implication

Demonstrates enhanced sodium storage capacity in a novel Ti2C/Sn4P3/Ti2C anode, suggesting high-performance potential for sodium-ion batteries.

Key Points

  • The research aims to develop an advanced anode material for sodium-ion batteries using a novel Ti2C/Sn4P3/Ti2C heterostructure.
  • Implemented density functional theory (DFT) calculations
  • Conducted ab initio molecular dynamics (AIMD) simulations
  • Analyzed electronic structure and sodium-ion diffusion kinetics
  • Achieved sodium storage capacity increase to 714 mAh/g
  • Demonstrated a low migration barrier of 0.14 eV for sodium diffusion
  • Showed enhanced conductivity and interfacial stability due to strong Sn–P–Ti bonding

Cite This Study

Zhang et al. (2026) studied this question.

synapsesocial.com/papers/69e470e9010ef96374d8dafehttps://doi.org/10.1021/acs.jpcc.6c00443
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1P6C5 monolayer as promising anode for high-performance sodium-ion batteries: Insights from DFT and AIMD study2024 · 34 citations
  2. 2Self-Consistent Equations Including Exchange and Correlation Effects1965 · 64,495 citations
  3. 3Dual‐Bond Confinement Enhanced Polyphosphides Adsorption and Electrochemical Kinetics in Metal Phosphides Anodes for Reversible and Stable Lithium/Sodium Storage2024 · 20 citations
  4. 4High Stability and Long Cycle Life of Rechargeable Sodium-Ion Battery Using Manganese Oxide Cathode: A Combined Density Functional Theory (DFT) and Experimental Study2021 · 117 citations