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在所有数据库中总计命中:
63,471
条
1.
The effect of the
electronic
structure
, phase transition, and localized dynamics of atoms in the formation of tiny particles of gold
作者:
Mubarak Ali
;
I-Nan Lin
关键词:
Dynamics
;
Geometry
;
Phase transition
;
Two
;
dimensional
structure
;
Electronic
structure
;
Photons
;
Smooth elements
刊名:Journal of Nanoparticle Research
出版年:2017
2.
Structure
, Ferromagnetic, Dielectric and
Electronic
Features of the
\(\hbox {LaBiFe}_{2}\hbox {O}_{6}\)
Material
作者:
J. A. Cuervo Farfán
;
D. M. Aljure García
;
R. Cardona…
关键词:
Complex perovskite
;
Crystalline
structure
;
Magnetic behavior
;
Electronic
structure
刊名:Journal of Low Temperature Physics
出版年:2017
3.
A computational study of the
electronic
structure
and the chemical activity of curcumin and some novel curcuminoids by density functional theory
作者:
Masoumeh Ighaei Bonab
;
Jaber Jahanbin Sardroodi…
关键词:
Electronic
structure
;
Tautomerism
;
Curcumin
;
Density functional theory
;
Hardness
;
Softness
刊名:Journal of the Iranian Chemical Society
出版年:2017
4.
Structural stability,
electronic
structure
, and novel transport properties with high thermoelectric performances of ZrIrX (X
\(=\)
As, Bi, and Sb)
作者:
Yassine Benallou
;
Kadda Amara
;
Bendouma Doumi…
关键词:
Semiconductors
;
Electronic
structure
s
;
Thermoelectric performances
p ;
and n
;
type doping levels
刊名:Journal of Computational
Electronic
s
出版年:2017
5.
Tailoring the
electronic
structure
of anatase TiO
2
(001) surface through W and N codoping: a DFT calculation
作者:
Zongbao Li
;
Xia Wang
;
Xiaobo Xing
;
Ying Wang
关键词:
Semiconductor
;
Crystal
structure
;
Electronic
structure
;
DFT
;
TiO2
刊名:Journal of the Korean Physical Society
出版年:2017
6.
Electronic
structure
and transport coefficients of the thermoelectric materials Bi
2
Te
3
from first-principles calculations
作者:
Xinxin Yan 颜欣心
;
Wenwen Zheng
;
Fengming Liu…
关键词:
Key wordsthermoelectric
;
Bi2Te3
;
first
;
principles calculations
;
electronic
structure
;
transport coefficients
刊名:Journal of Wuhan University of Technology-Mater. Sci. Ed.
出版年:2017
7.
Theoretical investigation of oligomer
structure
and opto
electronic
properties for [4-(methoxyphenyl)acetonitrile]
n
(n=1-5)
作者:
W. Taouali
;
M. E. Casida
;
M. Chemek
;
A. Haj Said
;
K. Alimi
关键词:
DFT
;
Electronic
structure
4 ;
(methoxyphenyl)acetonitrile
;
Optical properties
;
Organic
electronic
materials
刊名:Journal of Molecular Modeling
出版年:2017
8.
Strain induced polymorphism and band
structure
modulation in low-temperature 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene single crystal
作者:
Jianfeng Chen
;
Wen Shi
;
Yuqian Jiang
;
Dong Wang
;
Zhigang Shuai
关键词:
charge transport
;
shear strain
;
polymorphism
;
band
structure
modulation
;
flexible
electronic
s
刊名:Science China Chemistry
出版年:2017
9.
Ab initio study of the
electronic
, optical and thermodynamic properties of the ternary phosphides Li
Ae
P (
Ae
= Sr, Ba)
作者:
A. Benahmed
;
A. Bouhemadou
;
R. Khenata
;
S. Bin-Omran
关键词:
Ternary phosphides
;
Ab initio calculations
;
Electronic
structure
;
Optical properties
;
Thermal effect
刊名:Indian Journal of Physics
出版年:2017
10.
Cu–Ni core–shell nanoparticles:
structure
, stability,
electronic
, and magnetic properties: a spin-polarized density functional study
作者:
Qiang Wang
;
Xinyan Wang
;
Jianlan Liu
;
Yanhui Yang
关键词:
Cu–Ni core–shell nanoparticle
;
Stability
;
Charge transfer
;
Electronic
and magnetic properties
;
Modeling and simulation
刊名:Journal of Nanoparticle Research
出版年:2017
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