Obtaining excellent optical molecules by screening superalkali-doped cyclo[2<i>n</i>]carbons, M<sub>3</sub>O@C<sub>2<i>n</i></sub> (M = Li, Na, and K, <i>n</i> = 5–10)

A comparative study on geometric, electronic, and optical properties of superalkali-doped cyclo[2 n ]carbon, M 3 O@C 2 n (M = Li, Na, and K, n = 5–10), were conducted using (time-dependent) density functional theory combined with wavefunction analysis.

Authors

Xiufen Yan (ORCID: https://orcid.org/0000-0001-9409-6629)
Tian Jian Lu (ORCID: https://orcid.org/0000-0001-7795-7511)
Wenwen Zhao (ORCID: https://orcid.org/0000-0001-6019-6680)
Zeyu Liu (ORCID: https://orcid.org/0000-0002-7079-1907)
Jiaojiao Wang (ORCID: https://orcid.org/0000-0002-2519-4476)

Institutions

Jiangsu University of Science and Technology (CN)

Publication Details

Journal: Journal of Materials Chemistry C
Published: 2025-01-01
DOI: https://doi.org/10.1039/d5tc01675d
Citations: 3
Primary Topic: Crystal Structures and Properties
Type: article
Field-Weighted Citation Impact: 1.28

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article

Obtaining excellent optical molecules by screening superalkali-doped cyclo[2n]carbons, M₃O@C_2n (M = Li, Na, and K, n = 5–10)

Xiufen Yan, Tian Jian Lu, Wenwen Zhao, Zeyu Liu et al.

Jan 1, 2025

3 citations

Journal of Materials Chemistry C

Crystal Structures and Properties

1.28

article

Obtaining excellent optical molecules by screening superalkali-doped cyclo[2n]carbons, M₃O@C_2n (M = Li, Na, and K, n = 5–10)

Xiufen Yan, Tian Jian Lu, Wenwen Zhao, Zeyu Liu, Jiaojiao Wang

January 1, 2025article en

3 citations

Abstract

A comparative study on geometric, electronic, and optical properties of superalkali-doped cyclo[2 n ]carbon, M 3 O@C 2 n (M = Li, Na, and K, n = 5–10), were conducted using (time-dependent) density functional theory combined with wavefunction analysis.

Journal of Materials Chemistry CVol. 13(34)

Jiangsu University of Science and Technology (CN)

Openalex Percentile: Top 19%

Crystal Structures and Properties

1.28

DOI Source OpenAlex

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