Hydrogen-induced stabilization and tunable electronic structures of penta-silicene: a computational study

2015 ◽  
Vol 3 (43) ◽  
pp. 11341-11348 ◽  
Author(s):  
Yi Ding ◽  
Yanli Wang
Keyword(s):  
Electronic Structures ◽  
Magnetic Semiconductors ◽  
Computational Study ◽  
One Dimensional

Hydrogenation helps to stabilize pentagonal silicene sheets, whose one-dimensional nanoribbons are intriguing bipolar magnetic semiconductors.

Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2′:6′,2″-Terpyridine, 2,2′-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study

2015 ◽  
Vol 54 (24) ◽  
pp. 12002-12018 ◽  
Author(s):  
Jason England ◽  
Eckhard Bill ◽  
Thomas Weyhermüller ◽  
Frank Neese ◽  
Mihail Atanasov ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Computational Study

Unveiling the electronic structures and ligation effect of the superatom–polymeric zirconium oxide clusters: a computational study

2019 ◽  
Vol 21 (27) ◽  
pp. 14865-14872 ◽  
Author(s):  
Jing Wang ◽  
Yang Zhao ◽  
Jun Li ◽  
Hai-Cai Huang ◽  
Jing Chen ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Electronic Structures ◽  
Zirconium Oxide ◽  
Computational Study

DFT calculations reveal the electronic structures and ligation-induced superalkali characteristics of superatom–polymeric zirconium oxide clusters.

One-dimensional transition metal dihalide nanowires as robust bipolar magnetic semiconductors

Nanoscale ◽  
2020 ◽  
Vol 12 (16) ◽  
pp. 8942-8948
Author(s):  
Xingyi Tan ◽  
Lili Liu ◽  
Hui Xiang ◽  
Gui-Fang Du ◽  
Ao Lou ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Magnetic Semiconductors ◽  
First Principles Calculations ◽  
One Dimensional ◽  
New Family

Herein, a new family of 1D transition metal dihalide (TMCl2) nanowires are proposed by using first-principles calculations.

scholarly journals Synthesis and Application of One-Dimensional La(OH)3Nanostructures: An Overview

2014 ◽  
Vol 2014 ◽  
pp. 1-9 ◽  
Author(s):  
Xiang Xiao ◽  
Yu Huang ◽  
Fan Dong
Keyword(s):  
Physical Properties ◽  
Electronic Structures ◽  
Growth Mechanisms ◽  
One Dimensional ◽  
New Directions ◽  
Potential Applications ◽  
Transition Modes ◽  
Semiconductor Nanomaterials ◽  
Comprehensive Introduction ◽  
Solvothermal Methods

One-dimensional (1D) semiconductor nanomaterials are of particular importance owing to their unique properties and potential applications. This review attempts to provide a comprehensive introduction of 1D La(OH)3nanostructures including nanowires, nanoneedles, nanobelts, and nanorods. Firstly, various strategies developed to fabricate the 1D La(OH)3nanostructures are discussed, such as precipitation and composite-hydroxide-mediated, hydrothermal, and solvothermal methods, accompanying the description of the corresponding growth mechanisms. Then, the unique properties such as novel physical properties of 1D La(OH)3nanostructures resulting from their unique electronic structures and numerous transition modes involving the 4f shells of these ions are represented in detail. Also, the wide applications in photocatalyst, capacitors, and photoluminescence based on the unique properties are discussed. Finally, the paper ends with a summary and some perspectives on the challenges and new directions in this emerging area.

Molecular orbital theory of the electronic structures of one-dimensional molecular crystals

1979 ◽  
Vol 54 (1) ◽  
pp. 1-14 ◽  
Author(s):  
Akira Imamura ◽  
Kazuyoshi Tanaka ◽  
Tokio Yamabe ◽  
Kenichi Fukui
Keyword(s):  
Molecular Orbital ◽  
Electronic Structures ◽  
Molecular Crystals ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
One Dimensional
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