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CNKI会议论文(5)
CNKI学位论文(4525)
CNKI期刊论文0611(2)
知网期刊论文(1090)
在“
Elsevier电子期刊
”中,
命中:
271
条,耗时:0.0549716 秒
在所有数据库中总计命中:
5,622
条
1.
Structural, electronic and magnetic properties of 3d
metal
trioxide
clusters
-
doped
monolayer graphene: A first-principles study
作者:
Muhammad Rafique
a
;
b
;
Yong Shuai
a
;
shuaiyong1978@gmail.com
;
shuaiyong@hit.edu.cn
;
He-Ping Tan
a
;
Muhammad Hassan
a
关键词:
First-principles
;
Transition
metal
doping
;
Graphene
;
Dilute semiconductor
刊名:Applied Surface Science
出版年:2017
2.
Density functional investigation of mercury and arsenic adsorption on nitrogen
doped
graphene decorated with palladium
clusters
: A promising heavy
metal
sensing material in farmland
作者:
Chunjiang Zhao
a
;
b
;
c
;
zhaocj_nercita@163.com
;
Huarui Wu
a
;
b
;
c
;
wuhrnercita@163.com
关键词:
Pyridine-like nitrogen
doped
graphene
;
Palladium cluster
;
Mercury
;
Arsenic
;
Adsorption
刊名:Applied Surface Science
出版年:2017
3.
Evolution of the structural and electronic properties of small alkali
metal
-
doped
aluminum
clusters
作者:
K.O. Alcantar-Medina
a
;
M. Herrera-Trejo
a
;
A. Tlahuice-Flores
b
;
S. Martinez-Vargas
c
;
J. Oliva
a
;
A.I. Martinez
a
;
d
;
mtz.art@gmail.com
;
arturo.martinez@cinvestav.mx
关键词:
Aluminum
clusters
;
Basin hopping algorithm
;
Density functional theory
;
Electronic localization function
;
Quantum theory of atoms in molecules
刊名:Computational and Theoretical Chemistry
出版年:2017
4.
Role of alkali
metal
additives on adsorption of CO on small copper
clusters
[Cu
n
AM
m
(m + n ⩽ 7, m < n)]: A DFT study
作者:
Saba Shariati
sabashariati@yahoo.com
;
Ali H. Pakiari
;
pakiariah@gmail.com
;
pakiari@shirazu.ac.ir
刊名:Computational and Theoretical Chemistry
出版年:2017
5.
Novel ion-
doped
mesoporous glasses for bone tissue engineering: Study of their structural characteristics influenced by the presence of phosphorous oxide
作者:
Anahí
;
Philippart
a
;
Natividad Gó
;
mez-Cerezo
b
;
c
;
Daniel Arcos
b
;
c
;
Antonio J. Salinas
b
;
c
;
Elena Boccardi
a
;
Maria Vallet-Regi
b
;
c
;
vallet@ucm.es
;
Aldo R. Boccaccini
a
;
aldo.boccaccini@ww.uni-erlangen.de
关键词:
Mesoporosity
;
Bioactive glasses
;
Ion-
doped
glasses
;
Therapeutic ions
;
NMR
刊名:Journal of Non-Crystalline Solids
出版年:2017
6.
Study on Co-
doped
ZnO comparatively by first-principles calculations and relevant experiments
关键词:
ZnCoO
;
Magnetism
;
Absorption spectrum
;
First-principles calculations
刊名:Solid State Communications
出版年:2017
7.
Structural, electronic, and magnetic properties of 3D
metal
trioxide and tetraoxide superhalogen cluster-
doped
monolayer BN
作者:
Jingjing Meng
;
Dan Li
;
danli@bjtu.edu.cn" class="auth_mail" title="E-mail the corresponding author
;
lidanyt@163.com" class="auth_mail" title="E-mail the corresponding author
;
Yuan Niu
;
Hongmin Zhao
;
Chunjun Liang
;
Zhiqun He
关键词:
3D
metal
trioxides and tetraoxide superhalogen cluster
;
First-principles
;
Half-
metal
lic
;
Monolayer BN
刊名:Physics Letters A
出版年:2016
8.
Structure and stability of
metal
doped
tubular gold cages - comparison between potential model and density functional studies
作者:
Priyanka
a
;
priyanka792004@yahoo.co.in" class="auth_mail" title="E-mail the corresponding author
;
Sumali Bansal
a
;
Rajiv Bhandari
b
;
Keya Dharamvir
a
关键词:
Doped
Gold
Clusters
;
Gupta Potential (GP)
;
Density Functional Theory (DFT)
刊名:Materials Today: Proceedings
出版年:2016
9.
Facile design of red-emitting waveguides using hybrid nanocomposites made of inorganic
clusters
dispersed in SU8 photoresist host
作者:
Nolwenn Huby
a
;
nolwenn.huby@univ-rennes1.fr" class="auth_mail" title="E-mail the corresponding author
;
John Bigeon
a
;
Quentin Lagneaux
a
;
Maria Amela-Cortes
b
;
Alexandre Garreau
c
;
Yann Molard
b
;
Julien Fade
a
;
Anthony Desert
c
;
Eric Faulques
c
;
Bruno Bê
;
che
a
;
Jean-Luc Duvail
c
;
Sté
;
phane Cordier
b
关键词:
Photoluminescent
metal
lic
clusters
;
Hybrid nanocomposite
;
Doped
waveguide
;
Integrated photonics
刊名:Optical Materials
出版年:2016
10.
Bonding in
doped
gallium nano
clusters
: Insights from regional DFT
作者:
David J. Henry
a
;
d.henry@murdoch.edu.au" class="auth_mail" title="E-mail the corresponding author
;
Kazuhide Ichikawa
b
;
Hiroo Nozaki
b
;
Akitomo Tachibana
b
关键词:
Gallium
clusters
;
Regional DFT
;
Covalent bonding
;
Metal
lic bonding
;
Ga2 sub-units
;
Semi-
metal
刊名:Computational Materials Science
出版年:2016
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