Orbital-free density functional theory study of amorphous Li–Si alloys and introduction of a simple density decomposition formalism
Author:
Funder
Office of Naval Research
Publisher
IOP Publishing
Subject
Computer Science Applications,Mechanics of Materials,Condensed Matter Physics,General Materials Science,Modelling and Simulation
Link
http://stacks.iop.org/0965-0393/24/i=3/a=035014/pdf
Reference105 articles.
1. Electrochemically-driven solid-state amorphization in lithium-silicon alloys and implications for lithium storage
2. Structural Changes in Silicon Anodes during Lithium Insertion/Extraction
3. An In Situ X-Ray Diffraction Study of the Reaction of Li with Crystalline Si
4. Comparison of the Reactions Between Li[sub x]Si or Li[sub 0.81]C[sub 6] and Nonaqueous Solvent or Electrolytes at Elevated Temperature
5. Electrochemical lithiation of tin and tin-based intermetallics and composites
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1. Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations;Chemical Reviews;2023-10-23
2. Nonlocal kinetic energy functionals by functional integration;The Journal of Chemical Physics;2018-05-14
3. Implanted neural network potentials: Application to Li-Si alloys;Physical Review B;2018-03-20
4. Orbital-free density functional theory for materials research;Journal of Materials Research;2018-01-02
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