Theoretical Study on Electronic Properties and Structural Evolution in Hf2On-/0 (n=1~6) Clusters

2016 ◽  
Vol 74 (12) ◽  
pp. 1009
Author(s):  
Shifang Chen ◽  
Wenjie Chen ◽  
Bin Wang ◽  
Xiaobin Zhang ◽  
Xin Huang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Theoretical Study ◽  
Structural Evolution

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

Structural, vibrational and electronic properties of α′-Ga2S3 under compression

2021 ◽  
Author(s):  
S. Gallego-Parra ◽  
R. Vilaplana ◽  
O. Gomis ◽  
E. Lora da Silva ◽  
A. Otero-de-la-Roza ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Theoretical Study ◽  
Low Pressure ◽  
Electron Pairs ◽  
System P ◽  
Pressure Phase

We report a joint experimental and theoretical study of the low-pressure phase of α′-Ga2S3 under compression. The structural, vibrational, topological and electronic properties have been evaluated to reveal the relevance of the vacancy channels and the single and double lone electron pairs in the pressure behaviour of this system.

Effect of doping on the opto-electronic properties of hollow spheroid ZnO quantum dots: A theoretical study

2021 ◽  
Vol 270 ◽  
pp. 115220
Author(s):  
Sankarasubramanian Gopalakrishnan ◽  
Ramasamy Shankar ◽  
Ponmalai Kolandaivel
Keyword(s):  
Quantum Dots ◽  
Electronic Properties ◽  
Theoretical Study ◽  
Zno Quantum Dots ◽  
Effect Of Doping

Theoretical study of the structural evolution of small hydrogenated silicon clusters: Si6Hx

1996 ◽  
Vol 261 (3) ◽  
pp. 346-352 ◽  
Author(s):  
Takehide Miyazaki ◽  
Tsuyoshi Uda ◽  
Ivan Štich ◽  
Kiyoyuki Terakura
Keyword(s):  
Theoretical Study ◽  
Structural Evolution ◽  
Silicon Clusters ◽  
Hydrogenated Silicon

scholarly journals A combined molecular dynamics/density-functional theoretical study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex

2007 ◽  
Vol 441 (1-3) ◽  
pp. 136-142 ◽  
Author(s):  
Takayuki Tsukamoto ◽  
Yasuyuki Ishikawa ◽  
Takayuki Natsume ◽  
Kenichi Dedachi ◽  
Noriyuki Kurita
Keyword(s):  
Molecular Dynamics ◽  
Electronic Properties ◽  
Density Functional ◽  
Theoretical Study ◽  
Minor Groove ◽  
Water Molecules ◽  
Dna Duplex

The diverse electronic properties of C4N3monolayer under biaxial compressive strain: a theoretical study

2016 ◽  
Vol 49 (29) ◽  
pp. 295301 ◽  
Author(s):  
Haiping Wu ◽  
Yuzhen Liu ◽  
Erjun Kan ◽  
Yanming Ma ◽  
Wenjie Xu ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Theoretical Study ◽  
Compressive Strain

Theoretical study on the structural evolution and hydrogen storage in NbH (n = 2–15) clusters

2021 ◽  
Vol 46 (33) ◽  
pp. 17246-17252
Author(s):  
Wenli Zhou ◽  
Siyu Jin ◽  
Wei Dai ◽  
Jonathan T. Lyon ◽  
Cheng Lu
Keyword(s):  
Hydrogen Storage ◽  
Theoretical Study ◽  
Structural Evolution
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