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Wiley电子期刊(2)
SpringerLink电子期刊(11)
Elsevier电子期刊(32)
ACS电子期刊(18)
在“
Elsevier电子期刊
”中,
命中:
32
条,耗时:小于0.01 秒
在所有数据库中总计命中:
63
条
1.
Modelling the electronic structure of orthorhombic LaMnO
3
作者:
Ailbhe L. Gavin
;
gavinai@tcd.ie
;
Graeme W. Watson
关键词:
LaMnO3
;
DFT
;
Solid oxide fuel cell
刊名:Solid State Ionics
出版年:2017
2.
Study of the electronic, bonding, elastic and acoustic properties of covellite via first principles
作者:
Zhenlong Lv
a
;
9902883@haust.edu.cn" class="auth_mail" title="E-mail the corresponding author
;
Hongling Cui
a
;
Haiming Huang
a
;
Xiaohong Li
a
;
Hui Wang
a
;
nkxirainbow@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Guangfu Ji
b
关键词:
Inorganic compound
;
Electronic property
;
Elastic property
;
Acoustic property
;
First-principles calculation
刊名:Journal of Alloys and Compounds
出版年:2017
3.
Structural, mechanical, electronic and thermal properties of KZnF
3
and AgZnF
3
Perovskites: FP-(L)APW+lo calculations
作者:
S. Hiadsi
a
;
H. Bouafia
b
;
hamza.tssm@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
B. Sahli
b
;
B. Abidri
c
;
A. Bouaza
b
;
A. Akriche
a
关键词:
Perovskites
;
DFT
;
FP-(L)APW+lo
;
GGA-
PBEsol
;
TB-mBJ
;
Mechanical properties
;
Thermal properties
刊名:Solid State Sciences
出版年:2016
4.
First-principle study of O vacancy on LaNiO
3
(001) surface
作者:
Chang-Chang Pan (潘昌昌)
a
;
b
;
Yu-Hong Chen (陈玉红)
a
;
b
;
chenyh@lut.cn" class="auth_mail" title="E-mail the corresponding author
;
Na Wu (吴娜)
a
;
b
;
Mei-Ling Zhang (张梅玲)
b
;
Li-Hua Yuan (元丽华)
b
;
Cai-Rong Zhang (张材荣)
a
;
b
关键词:
Density-functional theory
;
O vacancies
;
Conductivity
刊名:International Journal of Hydrogen Energy
出版年:2016
5.
A comprehensive first-principles study of pure elements: Vacancy formation and migration energies and self-diffusion coefficients
作者:
Shun-Li Shang
;
sus26@psu.edu" class="auth_mail" title="E-mail the corresponding author
;
Bi-Cheng Zhou
;
William Y. Wang
;
Austin J. Ross
;
Xuan L. Liu
;
Yong-Jie Hu
;
Hua-Zhi Fang
;
Yi Wang
;
Zi-Kui Liu
关键词:
Pure elements
;
Vacancy formation energy
;
Vacancy activation energy
;
Self-diffusion coefficient
;
First-principles calculations
刊名:Acta Materialia
出版年:2016
6.
High energy Compton spectroscopy and electronic structure of Laves phase ZrFe
2
作者:
Samir Bhatt
a
;
Kishor Kumar
a
;
Gunjan Arora
b
;
Komal Bapna
a
;
B.L. Ahuja
a
;
blahuja@yahoo.com" class="auth_mail" title="E-mail the corresponding author
关键词:
X-ray scattering
;
Electronic structure of alloy
;
Density functional theory
刊名:Radiation Physics and Chemistry
出版年:2016
7.
Thermoelectric studies of IV-VI semiconductors for renewable energy resources
作者:
Amir Abdullah Khan
;
Imad Khan
;
imadkhan723@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Iftikhar Ahmad
;
Zahid Ali
关键词:
Heat transfer
;
Renewable energy resources
;
Seebeck effect
;
Semiconductors
;
Ab-initio
刊名:Materials Science in Semiconductor Processing
出版年:2016
8.
Diffusion coefficients of alloying elements in dilute Mg alloys: A comprehensive first-principles study
作者:
Bi-Cheng Zhou
;
zhoubicheng@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
bicheng.zhou@psu.edu" class="auth_mail" title="E-mail the corresponding author
;
Shun-Li Shang
;
Yi Wang
;
Zi-Kui Liu
关键词:
Magnesium alloys
;
Bulk diffusion
;
First-principles calculation
;
Kinetics
刊名:Acta Materialia
出版年:2016
9.
Mechanical and electronic properties of Si, Ge and their alloys in P4
2
/mnm structure
作者:
Qingyang Fan
a
;
qyfan_xidian@163.com" class="auth_mail" title="E-mail the corresponding author
;
Changchun Chai
a
;
Qun Wei
b
;
Qi Yang
a
;
Peikun Zhou
c
;
Mengjiang Xing
d
;
Yintang Yang
a
关键词:
Stability
;
Electronic properties
;
Mechanical properties
;
Si&ndash
;
Ge alloys
刊名:Materials Science in Semiconductor Processing
出版年:2016
10.
Electronic and optical response of zirconium sulphoselenides: Compton spectroscopy and first-principles calculations
作者:
Kishor Kumar
a
;
Samir Bhatt
a
;
A.R. Jani
b
;
B.L. Ahuja
a
;
blahuja@yahoo.com" class="auth_mail" title="E-mail the corresponding author
关键词:
X-ray scattering
;
Electronic structure
;
Density functional theory
;
Semiconductor compounds
刊名:Physica B: Physics of Condensed Matter
出版年:2015
1
2
3
4
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