Basic guidelines of first-principles calculations for suitable selection of electrochemical Li storage materials: a review-Reference-Cited by-同舟云学术

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Basic guidelines of first-principles calculations for suitable selection of electrochemical Li storage materials: a review

Published:2023 Issue:45 Volume:11 Page:24482-24518
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Kansara Shivam¹^ORCID,Kang Hyokyeong¹,Ryu Seongje¹,Sun H. Hohyun²,Hwang Jang-Yeon¹³^ORCID

Affiliation:

1. Department of Energy Engineering, Hanyang University, Seoul 04763, Republic of Korea

2. Department of Chemical and Biological Engineering, The University of Alabama, Alabama 35487, USA

3. Department of Battery Engineering, Hanyang University, Seoul 04763, Republic of Korea

Abstract

This study provides deep insights into how computational methods complement and enhance experimental investigations.

Funder

National Supercomputing Center, Korea Institute of Science and Technology Information

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/TA/D3TA05042D

Reference172 articles.

1. Long-Lasting Solid Electrolyte Interphase for Stable Li-Metal Batteries

2. Role of Li‐Ion Depletion on Electrode Surface: Underlying Mechanism for Electrodeposition Behavior of Lithium Metal Anode

3. Density Functional Theory Investigation of Mixed Transition Metals in Olivine and Tavorite Cathode Materials for Li-Ion Batteries

4. Sustainable Encapsulation Strategy of Silicon Nanoparticles in Microcarbon Sphere for High-Performance Lithium-Ion Battery Anode

5. Ultra-small ZnS quantum dots embedded in N-doped carbon matrix for high-performance Li-ion battery anode

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