Zobrazeno 1 - 10 of 24 pro vyhledávání: '"Bao-zeng Ren"'
1
Theoretical investigations on the structures and electronic and optical properties of neutral and anionic M2-doped B24 clusters (M = Li, Na, and K)
Autor: Cheng-Gang Li, Ying-Qi Cui, Hao Tian, Zi-Gang Shen, Qin-Qin Shao, Yan-Li Ding, Bao-Zeng Ren
Publikováno v: New Journal of Chemistry. 47:6612-6620
The lowest energy structures of M2B24 (M = Li, Na, and K), all bond lengths are shown in Å, and B, Li, Na and K atoms are marked in orange, blue, pink and yellow, respectively.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1dd9f739cc0d51268854ca3d65b9a8ce
https://doi.org/10.1039/d3nj00041a
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2
Akademický článek
Insights into the structures and electronic properties of Cun+1 μ and CunS μ (n = 1–12; μ = 0, ±1) clusters
Autor: Cheng-Gang Li, Zi-Gang Shen, Yan-Fei Hu, Ya-Nan Tang, Wei-Guang Chen, Bao-Zeng Ren
Publikováno v: Scientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
Abstarct The stability and reactivity of clusters are closely related to their valence electronic configuration. Doping is a most efficient method to modify the electronic configuration and properties of a cluster. Considering that Cu and S posses on
Externí odkaz: https://doaj.org/article/8053ce17d08e406185d535fb82e9a62b
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3
Analysis of the structures, stabilities and electronic properties of MB16− (M = V, Cr, Mn, Fe, Co, Ni) clusters and assemblies
Autor: Bao-Zeng Ren, Hong-Fei Li, Jie Zhang, Hui-Yang Xue, Jing-Jie Li, Zi-Gang Shen, Yingqi Cui, Chenggang Li, Yan-Fei Hu
Publikováno v: New Journal of Chemistry. 44:5109-5119
Doping of a cluster has often been used to stabilize and modify the structure and properties of the resulting doped cluster. In the current work, we reported the structures, stabilities and electronic properties of 3d transition metal (V, Cr, Mn, Fe,
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e9c1da61d99a35b713cf660787f956c9
https://doi.org/10.1039/c9nj06335h
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5
A comparative study of CunX (X = Sc, Y; n = 1–10) clusters based on the structures, and electronic and aromatic properties
Autor: Ru-Jie Zhang, Tong Sun, Jie Zhang, Jin-Hai Gao, Jing-Jie Li, Chenggang Li, Zi-Gang Shen, Yan-Fei Hu, Bao-Zeng Ren
Publikováno v: New Journal of Chemistry. 43:6597-6606
It is well known that atomic doping of clusters is an effective approach to stabilize or modify the structures and properties of the resulting doped clusters. Herein, the structures, and electronic and aromatic properties of copper clusters doped wit
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4d9e1ed1cfebce9159c958c92ed74a5d
https://doi.org/10.1039/c9nj00236g
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7
Structures, stabilities and electronic properties of the bimetal V2-doped Sin (n = 1–10) clusters: a density functional investigation
Autor: Yu Ma, Hong-Fei Li, Yingqi Cui, Weiguang Chen, Chenggang Li, Wenjing Li, Yan-Fei Hu, Guolei Li, Bao-Zeng Ren
Publikováno v: The European Physical Journal D. 74
Structures, stabilities and electronic properties of mixed silicon/vanadium clusters (V2Sin; n = 1–10) have been investigated systematically using the CALYPSO structural searching approach and density functional theory calculations. Results indicat
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::72bc5b510b0dbba81413428ebb358e24
https://doi.org/10.1140/epjd/e2020-10055-2
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8
Insights into the structures and electronic properties of Cun+1 μ and CunS μ (n = 1–12; μ = 0, ±1) clusters
Autor: Ya-Nan Tang, Chenggang Li, Zigang Shen, Bao-Zeng Ren, Yan-Fei Hu, Weiguang Chen
Publikováno v: Scientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
AbstarctThe stability and reactivity of clusters are closely related to their valence electronic configuration. Doping is a most efficient method to modify the electronic configuration and properties of a cluster. Considering that Cu and S posses one
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1eaee4fb0d7146f9fea5642ca8fffa39
https://doaj.org/article/8053ce17d08e406185d535fb82e9a62b
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9
Geometries, stabilities and electronic properties of copper and selenium doped copper clusters: Density functional theory study
Autor: Chenggang Li, Weiguang Chen, Bao-Zeng Ren, Yu-Quan Yuan, Jie Zhang, Yanan Tang
Publikováno v: Physica E: Low-dimensional Systems and Nanostructures. 86:303-310
The structures properties of Cu n+1 and Cu n Se clusters have been investigated using an unbiased CALYPSO structure searching method. Firstly, an unbiased search relying on several structurally different initial clusters have been undertaken. Subsequ
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d341fdc739d334a162f6c8c87f73fb63
https://doi.org/10.1016/j.physe.2016.10.022
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10
Density functional theory study of the structures and electronic properties of copper and sulfur doped copper clusters
Autor: Jie Zhang, Bao-Zeng Ren, Yu-Quan Yuan, Yanan Tang, Yan-Fei Hu, Chenggang Li
Publikováno v: Computational and Theoretical Chemistry. 1080:47-55
The structures and electronic properties of copper and sulfur doped copper clusters have been systematically investigated by means of the CALYPSO structure searching method combined with density functional theory. According to optimized CunS geometri
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::114c586248993a96a22d9a75400f4cbb
https://doi.org/10.1016/j.comptc.2016.01.018
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