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在“
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命中:
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在所有数据库中总计命中:
5,294
条
1.
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
2.
Field-modulated low-energy
electronic
and optical properties of armchair silicene nanoribbons
作者:
Feng-Lin Shyu
fl.shyu@msa.hinet.net
关键词:
Silicene nanoribbon
;
Tight-binding model
;
Electronic
property
;
Optical
property
刊名:Physica E: Low-dimensional Systems and Nanostructures
出版年:2017
3.
Substrate effect on the interfacial
electronic
structure of thermally-evaporated CH
3
NH
3
PbI
3
perovskite layer
作者:
Ye Zou
a
;
zouye@iccas.ac.cn
;
Qing Meng
a
;
Hongying Mao
b
;
c
;
Daoben Zhu
a
关键词:
Perovskite solar cell
;
Energy level alignment
;
Electronic
structure
;
Work function
;
Ultraviolet photoelectron spectroscopy
刊名:Organic
Electronic
s
出版年:2017
4.
Ruthenium carbonyl complex of a redox non-innocent ONS donor azophenol ligand: Electrochemistry, photophysical
property
,
electronic
structure and catalytic activity towards oxidation of alcohols
作者:
Puspendu Roy
;
Apurba Sau Mondal
;
Ajoy Kumar Pramanik
;
Tapan Kumar Mondal
;
tkmondal@chemistry.jdvu.ac.in
关键词:
Ruthenium carbonyl complex
;
ONS donor azophenol ligand
;
X-ray structure
;
Electronic
structure
;
Electrochemistry
;
Catalytic activity
刊名:Journal of Organometallic Chemistry
出版年:2017
5.
A first-principles study on
electronic
structures and elastic properties of metal doped α-Fe(N) high nitrogen steel
作者:
Ji-chun Yang
;
Xiang-jun Liu
;
Gui-xiao Jia
;
guixiao.jia@163.com
;
Xiao-yang Fu
关键词:
First principle
;
High nitrogen steel
;
Metal nitride
;
Electronic
structure
;
Elastic
property
刊名:Journal of Iron and Steel Research, International
出版年:2017
6.
The
electronic
properties of chiral carbon nanotubes
作者:
Jing Liu
a
;
Junzhe Lu
a
;
b
;
Xiang Lin
a
;
Yuchao Tang
a
;
Yanan Liu
a
;
Ting Wang
a
;
Hengjiang Zhu
a
;
b
;
zhj@xjnu.edu.cn
关键词:
Chiral carbon nanotubes
;
Structure optimization
;
Electronic
property
刊名:Computational Materials Science
出版年:2017
7.
Tunable
electronic
behavior in 3d transition metal doped 2H-WSe
2
作者:
Shuai Liu
a
;
Songlei Huang
a
;
Hongping Li
a
;
hpli@mail.ujs.edu.cn
;
Quan Zhang
a
;
Changsheng Li
a
;
Xiaojuan Liu
b
;
Jian Meng
b
;
Yi Tian
c
;
tianyichem@gmail.com
关键词:
2H-WSe2
;
Metallic impurity
;
First-principles calculations
;
Electronic
property
刊名:Physica E: Low-dimensional Systems and Nanostructures
出版年:2017
8.
Temperature evolution of structural and electrical
property
for Sr
7
Mn
4
O
15
at high temperature
作者:
X.M. Yang
a
;
Weimei Xie
a
;
X.M. Gu
a
;
G.T. Zhou
a
;
Kai Lv
a
;
G.F. Cheng
b
;
gfcheng@mail.sic.sc.cn
;
A.M. Zhang
c
;
F.M. Zhang
a
;
X.S. Wu
a
;
xswu@nju.edu.cn
关键词:
Sr7Mn4O15 ceramic
;
in-situ X-ray diffraction
;
Electronic
transport
property
;
Negative Temperature Coefficient (NTC) Thermistor ceramics
刊名:Journal of Alloys and Compounds
出版年:2017
9.
Geometric,
electronic
, magnetic and catalytic properties of carbon deposited on metal embedded graphene
作者:
Yanan Tang
a
;
b
;
1
;
yntang2010@163.com" class="auth_mail" title="E-mail the corresponding author
;
Weiguang Chen
a
;
1
;
Zhiyong Liu
b
;
021168@htu.cn" class="auth_mail" title="E-mail the corresponding author
;
Xiaolong Wang
b
;
Shanshan Chang
b
;
Xianqi Dai
a
;
b
;
xqdaizs@163.com" class="auth_mail" title="E-mail the corresponding author
关键词:
First-principles calculations
;
Metal modified-graphene
;
Electronic
structure
;
Magnetic
property
;
Conversion reaction
刊名:Computational Materials Science
出版年:2017
10.
Metastable phases, phase transformation and properties of AlAs based on first-principle study
作者:
Chao Liu
;
Mengdong Ma
;
Xiaohong Yuan
;
Hao Sun
;
Pan Ying
;
Bo Xu
;
Zhisheng Zhao
;
Julong He
;
hjl@ysu.edu.cn
关键词:
Aluminum arsenide
;
Phase transformation
;
Mechanical
property
;
Electronic
property
;
First-principle
刊名:Computational Materials Science
出版年:2017
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