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1

DFT studies of Si- and Al-doping effects on the acetone sensing properties of BC 3 graphene

Moradi, Morteza, Noei, Maziar, Peyghan, Ali Ahmadi

Journal:

Molecular Physics

Année:

2013

Langue:

english

Fichier:

PDF, 637 KB

english, 2013

2

Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study

Peyghan, Ali Ahmadi, Noei, Maziar, Yourdkhani, Sirous

Journal:

Superlattices and Microstructures

Année:

2013

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2013

3

The alkali and alkaline earth metal doped ZnO nanotubes: DFT studies

Peyghan, Ali Ahmadi, Noei, Maziar

Journal:

Physica B: Condensed Matter

Année:

2014

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2014

4

DNA nucleobase interaction with graphene like BC3 nano-sheet based on density functional theory calculations

Eslami, Majid, Peyghan, Ali Ahmadi

Journal:

Thin Solid Films

Année:

2015

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2015

5

Quantum chemical study of fluorinated AlN nano-cage

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Applied Surface Science

Année:

2012

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2012

6

Selective function of Al12N12 nano-cage towards NO and CO molecules

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Computational Materials Science

Année:

2012

Langue:

english

Fichier:

PDF, 664 KB

english, 2012

7

Ammonia monitoring by carbon nitride nanotubes: A density functional study

Beheshtian, Javad, Noei, Maziar, Soleymanabadi, Hammed, Peyghan, Ali Ahmadi

Journal:

Thin Solid Films

Année:

2013

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2013

8

Adsorption of Na, Mg, and Al atoms on BN nanotubes

Beheshtian, Javad, Peyghan, Ali Ahmadi, Bagheri, Zargham

Journal:

Thin Solid Films

Année:

2012

Langue:

english

Fichier:

PDF, 657 KB

english, 2012

9

First Principles Calculations of Electric Field Effect on the (6,0)ZigzagSingle-Walled Silicon Carbide Nanotube for use in Nano-Electronic Circuits

Ali Ahmadi Peyghan, Mohammad T. Baei, Saeedeh Hashemian…

Journal:

Journal of Cluster Science

Année:

2013

Langue:

english

Fichier:

PDF, 512 KB

english, 2013

10

DFT study of the dissociative adsorption of HF on an AlN nanotube

Noei, Maziar, Salari, Ali Akbar, Ahmadaghaei, Nastaran, Bagheri, Zargham, Peyghan, Ali Ahmadi

Journal:

Comptes Rendus Chimie

Année:

2013

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2013

11

Hydrogen peroxide reduction in the oxygen vacancies of ZnO nanotubes

Peyghan, Ali Ahmadi, Laeen, Shima Parizad, Aslanzadeh, Saeed Amir, Moradi, Morteza

Journal:

Thin Solid Films

Année:

2014

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2014

12

Influence of antisite defect upon decomposition of nitrous oxide over graphene-analogue SiC

Peyghan, Ali Ahmadi, Moradi, Morteza

Journal:

Thin Solid Films

Année:

2014

Langue:

english

Fichier:

PDF, 1.36 MB

english, 2014

13

Adsorption of H 2 S at Stone–Wales defects of graphene-like BC 3 : a computational study

Peyghan, Ali Ahmadi, Soleymanabadi, Hamed

Journal:

Molecular Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2014

14

B 12 N 12 Nano-cage as Potential Sensor for NO 2 Detection

Beheshtian, Javad, Kamfiroozi, Mohammad, Bagheri, Zargham, Peyghan, Ali Ahmadi

Journal:

Chinese Journal of Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 2.16 MB

english, 2012

15

First Principles Study on Encapsulation of Alkali Metals into ZnO Nanocage

T. Baei, Mohammad, Ahmadi Peyghan, Ali, Bagheri, Zargham

Journal:

Chinese Journal of Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 4.09 MB

english, 2012

16

Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors

Hadipour, Nasser L., Ahmadi Peyghan, Ali, Soleymanabadi, Hamed

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2015

17

Application of hexaâperiâhexabenzocoronene nanographene and its B, N, and Bn doped forms in Na-ion batteries: A density functional theory study

Peyghan, Ali Ahmadi, Beheshtian, Javad

Journal:

Thin Solid Films

Année:

2020

Fichier:

PDF, 1.45 MB

2020

18

Co-adsorption of CO molecules at the open ends of MgO nanotubes

Beheshtian, Javad, Baei, Mohammad T., Bagheri, Zargham, Peyghan, Ali Ahmadi

Journal:

Structural Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 467 KB

english, 2012

19

AlN nanotube as a potential electronic sensor for nitrogen dioxide

Javad Beheshtian, Mohammad T. Baei, Zargham Bagheri, Ali Ahmadi Peyghan

Journal:

Microelectronics Journal

Année:

2012

Langue:

english

Fichier:

PDF, 456 KB

english, 2012

20

Adsorption and dissociation of Cl2 molecule on ZnO nanocluster

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Applied Surface Science

Année:

2012

Langue:

english

Fichier:

PDF, 1019 KB

english, 2012

21

Functionalization of [60] fullerene with butadienes: A DFT study

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Applied Surface Science

Année:

2012

Langue:

english

Fichier:

PDF, 859 KB

english, 2012

22

A computational study of AlN nanotube as an oxygen detector

Mohammad T. Baei, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Chinese Chemical Letters

Année:

2012

Langue:

english

Fichier:

PDF, 339 KB

english, 2012

23

Theoretical investigation of C60 fullerene functionalization with tetrazine

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Computational and Theoretical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 493 KB

english, 2012

24

Energetic, structural, and electronic properties of hydrogenated Al12P12 nanocluster

Ali Ahmadi Peyghan, Mansoureh Pashangpour, Zargham Bagheri, Mohammad Kamfiroozi

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Année:

2012

Langue:

english

Fichier:

PDF, 824 KB

english, 2012

25

Can aluminum nitride nanotubes detect the toxic NH3 molecules?

Ali Ahmadi Peyghan, Akbar Omidvar, Nasser L. Hadipour, Zhargham Bagheri, Mohammad Kamfiroozi

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Année:

2012

Langue:

english

Fichier:

PDF, 862 KB

english, 2012

26

A first-principles study of H2S adsorption and dissociation on the AlN nanotube

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Année:

2012

Langue:

english

Fichier:

PDF, 825 KB

english, 2012

27

Theoretical study of CO adsorption on the surface of BN, AlN, BP and AlP nanotubes

Javad Beheshtian, Mohammad T. Baei, Ali Ahmadi Peyghan

Journal:

Surface Science

Année:

2012

Langue:

english

Fichier:

PDF, 538 KB

english, 2012

28

Electronic response of BC3 nanotube to CS2 molecules: DFT studies

Peyghan, Ali Ahmadi, Bagheri, Zargham

Journal:

Computational and Theoretical Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 1.95 MB

english, 2013

29

Response of Si- and Al-doped graphenes toward HCN: A computational study

Rastegar, Somayeh F., Peyghan, Ali Ahmadi, Hadipour, Nasser L.

Journal:

Applied Surface Science

Année:

2013

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2013

30

Adsorption of nitrous oxide on the (6,0) magnesium oxide nanotube

Peyghan, Ali Ahmadi, Baei, Mohammad T., Hashemian, Saeedeh, Moghimi, Masoumeh

Journal:

Chinese Chemical Letters

Année:

2012

Langue:

english

Fichier:

PDF, 361 KB

english, 2012

31

Nitrate adsorption by carbon nanotubes in the vacuum and aqueous phase

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Monatshefte für Chemie - Chemical Monthly

Année:

2012

Langue:

english

Fichier:

PDF, 278 KB

english, 2012

32

Electronic structure study of Si-doped (4,4) armchair single-walled boron phosphide nanotube as a semiconductor

Mohammad T. Baei, Ali Ahmadi Peyghan, Masoumeh Moghimi

Journal:

Monatshefte für Chemie - Chemical Monthly

Année:

2012

Langue:

english

Fichier:

PDF, 472 KB

english, 2012

33

NMR and NQR study of Si-doped (6,0)zigzagsingle-walled aluminum nitride nanotube asnorP–semiconductors

Mohammad T. Baei, Ali Ahmadi Peyghan, Khadijeh Tavakoli, Ali Kazemi Babaheydari, Masoumeh Moghimi

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 582 KB

english, 2012

34

Cation-π interaction of alkali metal ions with C24fullerene: a DFT study

Morteza Moradi, Ali Ahmadi Peyghan, Zargham Bagheri, Mohammad Kamfiroozi

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 406 KB

english, 2012

35

Electric field effect on (6,0)zigzagsingle-walled aluminum nitride nanotube

Mohammad T. Baei, Ali Ahmadi Peyghan, Masoumeh Moghimi

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 512 KB

english, 2012

36

Nitrous oxide adsorption on pristine and Si-doped AlN nanotubes

Javad Beheshtian, Mohammad T. Baei, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Journal of Molecular Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 455 KB

english, 2013

37

Hydrogen dissociation on diene-functionalized carbon nanotubes

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Journal of Molecular Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 430 KB

english, 2013

38

Electric field effect on thezigzag(6,0) single-wall BC2N nanotube for use in nano-electronic circuits

Mohammad T. Baei, Ali Ahmadi Peyghan, Masoumeh Moghimi, Saeede Hashemian

Journal:

Journal of Molecular Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 555 KB

english, 2013

39

Electronic sensor for sulfide dioxide based on AlN nanotubes: a computational study

Javad Beheshtian, Mohammad T. Baei, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 438 KB

english, 2012

40

Adsorption of CO molecule on AlN nanotubes by parallel electric field

Ali Ahmadi Peyghan, Mohammad T. Baei, Saeedeh Hashemian, Parviz Torabi

Journal:

Journal of Molecular Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 709 KB

english, 2013

41

Carbon nanotube functionalization with carboxylic derivatives: a DFT study

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Journal of Molecular Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 403 KB

english, 2013

42

Arsenic interactions with a fullerene-like BN cage in the vacuum and aqueous phase

Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Journal of Molecular Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 416 KB

english, 2013

43

Carbon nitride nanotube as a sensor for alkali and alkaline earth cations

Beheshtian, Javad, Baei, Mohammad T., Bagheri, Zargham, Peyghan, Ali Ahmadi

Journal:

Applied Surface Science

Année:

2013

Langue:

english

Fichier:

PDF, 1.68 MB

english, 2013

44

Phenol adsorption study on pristine, Ga-, and In-doped (4,4) armchair single-walled boron nitride nanotubes

Ali Ahmadi Peyghan, Mohammad T. Baei, Masoumeh Moghimi, Saeedeh Hashemian

Journal:

Computational and Theoretical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 852 KB

english, 2012

45

B-doping makes the carbon nanocones sensitive towards NO molecules

Mohammad T. Baei, Ali Ahmadi Peyghan, Zargham Bagheri, Mohammad Bigdeli Tabar

Journal:

Physics Letters A

Année:

2012

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2012

46

Fluorination of the exterior surface of AlN nanotube: A DFT study

Mohammad T. Baei, Ali Ahmadi Peyghan, Zargham Bagheri

Journal:

Superlattices and Microstructures

Année:

2013

Langue:

english

Fichier:

PDF, 747 KB

english, 2013

47

First-principles calculations of structural stability, electronic, and electrical responses of GeC nanotube under electric field effect for use in nanoelectronic devices

Mohammad T. Baei, Ali Ahmadi Peyghan, Masoumeh Moghimi, Saeedeh Hashemian

Journal:

Superlattices and Microstructures

Année:

2012

Langue:

english

Fichier:

PDF, 699 KB

english, 2012

48

Adsorption and Electronic Structure Study of Imidazole on (6,0) Zigzag Single-Walled Boron Nitride Nanotube

Peyghan, Ali Ahmadi, Baei, Mohammad T., Moghimi, Masoumeh, Hashemian, Saeedeh

Journal:

Journal of Cluster Science

Année:

2013

Langue:

english

Fichier:

PDF, 466 KB

english, 2013

49

A first-principles study of the adsorption behavior of CO on Al- and Ga-doped single-walled BN nanotubes

Peyghan, Ali Ahmadi, Soltani, Alireza, Pahlevani, Amin Allah, Kanani, Yaser, Khajeh, Soheila

Journal:

Applied Surface Science

Année:

2013

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2013

50

Quantum chemical analysis on hydrogenated Zn12O12 nanoclusters

Baei, Mohammad Taghi, Peyghan, Ali Ahmadi, Bagheri, Zargham

Journal:

Comptes Rendus Chimie

Année:

2013

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2013