Lithiation of phosphorus at the nanoscale: a computational study of LinPm clusters-Reference-Cited by-同舟云学术

Lithiation of phosphorus at the nanoscale: a computational study of Li_nP_m clusters

Published:2024 Issue:3 Volume:16 Page:1197-1205
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Rybkovskiy Dmitry V.¹²^ORCID,Lepeshkin Sergey V.³^ORCID,Mikhailova Anastasiia A.¹²^ORCID,Baturin Vladimir S.¹^ORCID,Oganov Artem R.¹^ORCID

Affiliation:

1. Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, 121205 Moscow, Russian Federation

2. Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilov St, 119991 Moscow, Russian Federation

3. Lebedev Physical Institute, Russian Academy of Sciences, 53 Lenin Ave., 119991 Moscow, Russian Federation

Abstract

We revealed the structural transformations of Li–P clusters with an increase in lithium concentration by performing global optimization and DFT calculations.

Funder

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NR/D3NR05166H

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1. Current status and challenges for automotive battery production technologies

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