Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods-Reference-Cited by-同舟云学术

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

Published:2014-11-17 Issue:12 Volume:10 Page:5318-5323
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ganesh P.¹,Kim Jeongnim¹,Park Changwon¹,Yoon Mina¹,Reboredo Fernando A.¹,Kent Paul R. C.¹

Affiliation:

1. Center for Nanophase Materials Sciences, ‡Material Science and Technology Division, and §Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

Funder

Basic Energy Sciences

Oak Ridge National Laboratory

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500617z

Reference44 articles.

1. Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles

2. Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations

3. Lithium Diffusion in Graphitic Carbon

4. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

5. Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces

Cited by 122 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. SiN3 monolayer: A potential anode material with high storage capacity and hasty diffusion for Li- and Na-ion batteries;Journal of Energy Storage;2024-07

2. Functionalized MBenes as promising anode materials for high-performance alkali-ion batteries: a first-principles study;Nanotechnology;2024-04-24

3. SiC substrate-facilitated lithium-ion migration to modulate Kekulé-O graphene;Applied Physics Letters;2024-04-08

4. Edge and lithium concentration effects on intercalation kinetics for graphite anodes;Journal of Energy Chemistry;2024-03

5. Exploring the potential of MB₄ (M = Cr, Mo, and W) MBenes as high-capacity anode materials for Ca-ion batteries: a DFT approach;Journal of Materials Chemistry A;2024