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SpringerLink电子期刊(3)
Elsevier电子期刊(10)
ACS电子期刊(1)
在“
Elsevier电子期刊
”中,
命中:
10
条,耗时:小于0.01 秒
在所有数据库中总计命中:
14
条
1.
Different electronic sensitivity of BN and AlN nanoclusters to SO
2
gas: DFT studies
作者:
Maziar Noei
noeimaziar@gmail.com
关键词:
Sensor
;
DFT
;
Nanocage
;
Sulfur dioxide
刊名:Vacuum
出版年:2017
2.
A comparative density functional theory study of guanine chemisorption on Al
12
N
12
, Al
12
P
12
, B
12
N
12
, and B
12
P
12
nano-cages
作者:
Ali Shokuhi Rad
a
;
a.shokuhi@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
a.shokuhi@qaemshahriau.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Khurshid Ayub
b
关键词:
Guanine
;
Nano-cages
;
Al12N12
;
Al12
P12
;
B
12N12
;
B12P12
;
DFT
刊名:Journal of Alloys and Compounds
出版年:2016
3.
Adsorption of pyrrole on Al
12
N
12
, Al
12
P
12
, B
12
N
12
, and B
12
P
12
fullerene-like nano-cages; a first principles study
作者:
Ali Shokuhi Rad
a
;
a.shokuhi@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
Khurshid Ayub
b
关键词:
Pyrrole
;
Al12N12
;
Al12
P12
;
B
12N12
;
B12P12
;
Nano-cages
刊名:Vacuum
出版年:2016
4.
Coordination of nickel atoms with Al
12
X
12
(X = N, P) nanocages enhances H
2
adsorption: A surface study by DFT
作者:
Ali Shokuhi Rad
a
;
a.shokuhi@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
a.shokuhi@qaemiau.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Khurshid Ayub
b
;
关键词:
Hydrogen adsorption
;
Al12N12
;
Al12
P12
;
Nickel
;
Nanostructure adsorbent
刊名:Vacuum
出版年:2016
5.
Ambient carbon dioxide capture by different dimensional AlN nanostructures: A comparative DFT study
作者:
Mehdi D. Esrafili
;
esrafili@maragheh.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Roghaye Nurazar
;
Parisa Nematollahi
关键词:
Carbon dioxide capture
;
DFT
;
Aluminum nitride
;
Al12N12
;
AlN nanosheet
刊名:Superlattices and Microstructures
出版年:2016
6.
Selective detection of toxic cyanogen gas in the presence of O
2
, and H
2
O molecules using a AlN nanocluster
作者:
Mohammad Solimannejad
a
;
m-solimannejad@araku.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Saeedeh Kamalinahad
a
;
Ehsan Shakerzadeh
b
关键词:
Sensing of cyanogen
;
Pristine
Al12N12
;
UV&ndash
;
vis spectrum
;
Density of state
;
DFT
刊名:Physics Letters A
出版年:2016
7.
Detailed surface study of adsorbed nickel on Al
12
N
12
nano-cage
作者:
Ali Shokuhi Rad
a
;
a.shokuhi@gmail.com" class="auth_mail" title="E-mail the corresponding author
;
a.shokuhi@qaemiau.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
Khurshid Ayub
b
关键词:
Nano-cages
;
Al12N12
;
Nickel
;
Density functional theory
;
Adsorption
;
Molecular electrostatic potential
刊名:Thin Solid Films
出版年:2016
8.
A computational study of adenine, uracil, and cytosine adsorption upon AlN and BN nano-cages
作者:
Mohammad T. Baei
a
;
Mohammad Ramezani Taghartapeh
b
;
E. Tazikeh Lemeski
c
;
Alireza Soltani
b
;
alireza.soltani46@yahoo.com" class="auth_mail
关键词:
Adsorption
;
DFT
;
Nucleobases
;
B
12N12
;
Al12N12
刊名:Physica B
出版年:1 July 2014
9.
Ab initio study of the NO
2
and SO
2
adsorption on Al
12
N
12
nano-cage sensitized with gallium and magnesium
作者:
Alireza Soltani
;
Shima Ghafouri Raz
;
Mohammad Ramezani Taghartapeh
;
Ali Varasteh Moradi
;
Ramin Zafar Mehrabian
关键词:
First principles
;
Al12N12
;
Doping
;
Chemisorption
;
Chemical sensor
刊名:Computational Materials Science
出版年:2013
10.
Bare and Ni decorated Al
12
N
12
cage for hydrogen storage:?A?first-principles study
作者:
Yonghong Zhang
;
Xiaozhen Zheng
;
Shengli Zhang
;
Shiping Huang
;
Peng Wang
;
Huiping Tian
关键词:
Density functional theory
;
Ni
Al12N12
cage
;
Hydrogen adsorption
;
Thermodynamic stability
刊名:International Journal of Hydrogen Energy
出版年:2012
1
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