Výsledky vyhledávání - "Qing-Gong Song"

Sphere-forming diblock copolymers confined in a square well

Autor: Hong-Ge Tan, Dadong Yan, Ya-Jing Deng, Meiling Zhang, Qing-Gong Song

Publikováno v: Polymer. 54:6853-6859

By means of the mean-field dynamic density functional theory (DDFT), the self-assembly behavior of the sphere-forming diblock copolymers confined in the square well has been studied systematically. Various novel structures are predicted, such as a st

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bfdf80ba90122e7a547417efa1042803
https://doi.org/10.1016/j.polymer.2013.10.024

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Electronic Structures and Magnetic Properties in Ti-Doped ZnO

Autor: Qing Gong Song, Yi Fei Chen, Rao Li

Publikováno v: Advanced Materials Research. 721:308-311

Using first-principles calculations based on density functional theory, we investigated systematically the electronic structures and magnetic properties of Ti-doped ZnO. The results indicate that Ti doped ZnO prefers the ferromagnetic ground state an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::533a577d644c52970a9586a0760bee4c
https://doi.org/10.4028/www.scientific.net/amr.721.308

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First-Principles Study on Energy Property and Stability of Y3Al5O12 Crystal

Autor: Hui Zhao, Yi Fei Chen, Jian Hai Kang, Yan Rui Guo, Qing Gong Song

Publikováno v: Advanced Materials Research. :2531-2536

The geometrical structure of Y3Al5O12 (YAG) crystal was optimized by using first-principles calculation scheme, i.e. generalized gradient approximation (GGA) with the PW91 exchange correlation potential and “on the fly” pseudo-potential (OTFPP).

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6e7c85360ee13177e1af2d8d3183931b
https://doi.org/10.4028/www.scientific.net/amr.634-638.2531

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The Structural Stabilities and Electronic Properties of Orthorhombic and Rhombohedral LaCrO3 — A First-Principles Study

Autor: Tong Wei, Hui Zhao, Ling Ling Song, Jian Hai Kang, Qing Gong Song

Publikováno v: Advanced Materials Research. :734-738

The equilibrium structures of orthorhombic LaCrO3(O-LaCrO3) and rhombohedral LaCrO3(R-LaCrO3) crystals were investigated by using the plane-wave self consistent field (PWSCF) method based on density functional theory (DFT). The optimized lattice para

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9cd8795b8f8c9f04731d621500311a7f
https://doi.org/10.4028/www.scientific.net/amr.622-623.734

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The Structures and Electronic Properties of Composite Material (LaxAl1-X)2O3 from First-Principles Study

Autor: Qing Gong Song, Yan Rui Guo, Hui Yu Yan

Publikováno v: Advanced Materials Research. 583:158-161

The structures and electronic properties of (LaxAl1-x)2O3 are studied by first-principles calculation method. The results show that the composite material (LaxAl1-x)2O3 tend to be in sixfold-coordinated structure when x0.7. (LaxAl1-x)2O3 is in disord

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cb3f5db0dfc9af8e417ad267f0cc299d
https://doi.org/10.4028/www.scientific.net/amr.583.158

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First-Principles Study on Al or/and P Doped SiC Nanotubes

Autor: Qing Gong Song, Ai Qing Wu, Li Yang

Publikováno v: Advanced Materials Research. 510:747-752

The stability and electronic structures of Al or/and P doped single-walled SiC nanotubes (SWSiCNTs) are investigated by the first-principles theory. It is found that the ones with P atom located at Si site are most energetically favorable both for ar

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c7981ed15e9077c346290b06871b8775
https://doi.org/10.4028/www.scientific.net/amr.510.747

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Phase Behavior of Sphere-Forming Triblock Copolymers in Films

Autor: Ya-Jing Deng, Xin-Huan Yang, Hong-Ge Tan, Qing-Gong Song

Publikováno v: Open Journal of Applied Sciences. :163-167

The self-assembly of sphere-forming triblock copolymers confined between two thin homogeneous surfaces is investigated based on mean-field dynamic density functional theory. The morphologies deviating from the bulk sphere-forming phase are revealed,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4b0da0ee021e5fb8b926eec213f0dfe5
https://doi.org/10.4236/ojapps.2012.23023

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First-Principles Study on Structure and Stability of YAP Crystal

Autor: Yan Bo Wang, Qing Gong Song, Hui Yu Yan, Hui Zhao, Li Wei Liu, Yi Fei Chen

Publikováno v: Advanced Materials Research. :2144-2148

The geometry optimization, formation energy, Mulliken populations, and density of states of YAP (YAlO3) crystal are studied by using first-principles method based on density functional theory. The optimal lattice parameters of YAP crystal are in good

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fb63384dd9ea4ccd6b43dd15b9b5d974
https://doi.org/10.4028/www.scientific.net/amr.399-401.2144

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Dielectric Relaxation Properties in Colossal Dielectric Constant Material Sr0.9Ba0.1Ti0.9Ru0.1O3

Autor: Qing Gong Song, Jun-Ming Liu, Tong Wei, Q.J. Zhou, Chuan Zhen Zhao

Publikováno v: Advanced Materials Research. 298:23-28

We investigated the colossal dielectric constant behavior and interesting dielectric relaxation over broad temperature and frequency ranges in complex perovskite Sr0.9Ba0.1Ti0.9Ru0.1O3 ceramics by using HP4294 impedance analyzer. Through the discussi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e8c62fa75b135088b05fd9ea4615d104
https://doi.org/10.4028/www.scientific.net/amr.298.23

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