Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Search research articles

Related Experiment Video

Updated: Jun 16, 2026

$In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries$

In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries

Published on: November 10, 2014

Controlling diffusion of lithium in silicon nanostructures.

Tzu-Liang Chan¹, James R Chelikowsky

¹Center for Computational Materials, Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712.

|February 4, 2010

Summary

Controlling lithium diffusion in silicon nanostructures is key for advanced energy storage. This study uses ab initio calculations to optimize lithium diffusion by manipulating size and dimensionality in silicon nanostructures for better batteries.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Real-Space Stochastic <i>GW</i> Calculations Benchmark on GW20.

Journal of chemical theory and computation·2026

Same author

Decoding atomic landscapes: Integrating electronic structure theory and high-resolution atomic force microscopy.

The Journal of chemical physics·2026

Same author

Efficient Full-Frequency GW Calculations Using a Lanczos Method.

Physical review letters·2024

Same author

Anisotropy and isotope effect in superconducting solid hydrogen.

Journal of physics. Condensed matter : an Institute of Physics journal·2023

Same author

Real-space solution to the electronic structure problem for nearly a million electrons.

The Journal of chemical physics·2023

Same author

Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy.

Nature communications·2023

Area of Science:

Materials Science
Nanotechnology
Computational Chemistry

Background:

Controlling dopant diffusion is crucial for material functionalization in both macro- and nanoscale devices.
Nanoscale diffusion is complex due to quantum confinement and high surface-to-volume ratios.
Lithium (Li) in silicon (Si) nanostructures is relevant for high-capacity energy storage, with Li-ion batteries using Si nanowires achieving high specific energy capacities (up to 4200 mA h g⁻¹).

Purpose of the Study:

To investigate the diffusion of lithium (Li) atoms in silicon (Si) nanostructures.
To determine how nanoscale factors like size and dimensionality influence Li diffusion.
To identify strategies for optimizing Li diffusion for improved energy storage applications.

Main Methods:

More Related Videos

Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing

Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing

Published on: March 7, 2018

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy

Published on: January 20, 2023

Related Experiment Videos

Last Updated: Jun 16, 2026

$In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries$

In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries

Published on: November 10, 2014

Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing

Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing

Published on: March 7, 2018

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy

Published on: January 20, 2023

Utilized ab initio calculations to simulate and analyze Li diffusion.

Examined the impact of varying size and dimensionality of Si nanostructures on Li atom diffusion.

Main Results:

Identified specific relationships between nanostructure size, dimensionality, and Li diffusion rates.
Provided insights into how quantum confinement and surface effects influence Li transport at the nanoscale.
Established a framework for predicting and controlling Li diffusion in Si nanostructures.

Conclusions:

Size and dimensionality are critical factors for controlling Li diffusion in Si nanostructures.
Optimizing these factors can lead to enhanced performance in Li-ion batteries and other energy storage devices.
Ab initio calculations are effective for understanding and guiding the design of nanoscale materials for energy applications.