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Volumn 349, Issue , 2015, Pages 864-869

A DFT comparative study of single and double SO 2 adsorption on Pt-doped and Au-doped single-walled carbon nanotube

Author keywords

Chemical properties; DFT; NBO; Sensor; SO 2 adsorption

Indexed keywords

ADSORPTION; CHEMICAL PROPERTIES; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; GOLD COMPOUNDS; MOLECULES; PLATINUM COMPOUNDS; SENSORS; YARN;

EID: 84937723763     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.05.088     Document Type: Article
Times cited : (105)

References (35)
  • 1
    • 0038033665 scopus 로고
    • Single-shell carbon nanotubes of 1-nm diameter
    • S. Iijima, and T. Ichihashi Single-shell carbon nanotubes of 1-nm diameter Nature 363 1993 603 605
    • (1993) Nature , vol.363 , pp. 603-605
    • Iijima, S.1    Ichihashi, T.2
  • 2
    • 0034247521 scopus 로고    scopus 로고
    • Electronic properties of oxidized carbon nanotubes
    • S.-H. Jhi, S.G. Louie, and M.L. Cohen Electronic properties of oxidized carbon nanotubes Phys. Rev. Lett. 85 2000 1710
    • (2000) Phys. Rev. Lett. , vol.85 , pp. 1710
    • Jhi, S.-H.1    Louie, S.G.2    Cohen, M.L.3
  • 4
    • 0036540952 scopus 로고    scopus 로고
    • Gas molecule adsorption in carbon nanotubes and nanotube bundles
    • J. Zhao, A. Buldum, J. Han, and J.P. Lu Gas molecule adsorption in carbon nanotubes and nanotube bundles Nanotechnology 13 2002 195
    • (2002) Nanotechnology , vol.13 , pp. 195
    • Zhao, J.1    Buldum, A.2    Han, J.3    Lu, J.P.4
  • 5
    • 0141521685 scopus 로고    scopus 로고
    • Ab initio study of doped carbon nanotube sensors
    • S. Peng, and K. Cho Ab initio study of doped carbon nanotube sensors Nano Lett. 3 2003 513 517
    • (2003) Nano Lett. , vol.3 , pp. 513-517
    • Peng, S.1    Cho, K.2
  • 6
    • 15544374415 scopus 로고    scopus 로고
    • Chemical detection with a single-walled carbon nanotube capacitor
    • E. Snow, F. Perkins, E. Houser, S. Badescu, and T. Reinecke Chemical detection with a single-walled carbon nanotube capacitor Science 307 2005 1942 1945
    • (2005) Science , vol.307 , pp. 1942-1945
    • Snow, E.1    Perkins, F.2    Houser, E.3    Badescu, S.4    Reinecke, T.5
  • 7
  • 9
    • 9744279974 scopus 로고    scopus 로고
    • First-principles study of Li-intercalated carbon nanotube ropes
    • J. Zhao, A. Buldum, J. Han, and J.P. Lu First-principles study of Li-intercalated carbon nanotube ropes Phys. Rev. Lett. 85 2000 1706
    • (2000) Phys. Rev. Lett. , vol.85 , pp. 1706
    • Zhao, J.1    Buldum, A.2    Han, J.3    Lu, J.P.4
  • 10
    • 44449116769 scopus 로고    scopus 로고
    • Adsorption of small gas molecules onto Pt-doped single-walled carbon nanotubes
    • C.S. Yeung, L.V. Liu, and Y.A. Wang Adsorption of small gas molecules onto Pt-doped single-walled carbon nanotubes J. Phys. Chem. C 112 2008 7401 7411
    • (2008) J. Phys. Chem. C , vol.112 , pp. 7401-7411
    • Yeung, C.S.1    Liu, L.V.2    Wang, Y.A.3
  • 11
    • 78049419030 scopus 로고    scopus 로고
    • Adsorption sensitivity of Pd-doped SWCNTs to small gas molecules
    • X. Zhou, W.Q. Tian, and X.-L. Wang Adsorption sensitivity of Pd-doped SWCNTs to small gas molecules Sens. Actuators B: Chem. 151 2010 56 64
    • (2010) Sens. Actuators B: Chem. , vol.151 , pp. 56-64
    • Zhou, X.1    Tian, W.Q.2    Wang, X.-L.3
  • 12
    • 84897622180 scopus 로고    scopus 로고
    • Ab initio study of Pd-decorated single-walled carbon nanotube with C-vacancy as CO sensor
    • M. Yoosefian, Z. Barzgari, and J. Yoosefian Ab initio study of Pd-decorated single-walled carbon nanotube with C-vacancy as CO sensor Struct. Chem. 25 2014 9 19
    • (2014) Struct. Chem. , vol.25 , pp. 9-19
    • Yoosefian, M.1    Barzgari, Z.2    Yoosefian, J.3
  • 14
    • 33745727347 scopus 로고    scopus 로고
    • Nanostructured Pt functionlized multiwalled carbon nanotube based hydrogen sensor
    • M.K. Kumar, and S. Ramaprabhu Nanostructured Pt functionlized multiwalled carbon nanotube based hydrogen sensor J. Phys. Chem. B 110 2006 11291 11298
    • (2006) J. Phys. Chem. B , vol.110 , pp. 11291-11298
    • Kumar, M.K.1    Ramaprabhu, S.2
  • 15
    • 77953678696 scopus 로고    scopus 로고
    • Nanostructured Pt decorated graphene and multi walled carbon nanotube based room temperature hydrogen gas sensor
    • A. Kaniyoor, R.I. Jafri, T. Arockiadoss, and S. Ramaprabhu Nanostructured Pt decorated graphene and multi walled carbon nanotube based room temperature hydrogen gas sensor Nanoscale 1 2009 382 386
    • (2009) Nanoscale , vol.1 , pp. 382-386
    • Kaniyoor, A.1    Jafri, R.I.2    Arockiadoss, T.3    Ramaprabhu, S.4
  • 17
    • 0346758796 scopus 로고    scopus 로고
    • When gold is not noble: Catalysis by nanoparticles
    • M. Haruta When gold is not noble: catalysis by nanoparticles Chem. Rec. 3 2003 75 87
    • (2003) Chem. Rec. , vol.3 , pp. 75-87
    • Haruta, M.1
  • 18
    • 0041521020 scopus 로고    scopus 로고
    • All that glitters is not Au0
    • R.J. Davis All that glitters is not Au0 Science 301 2003 926 927
    • (2003) Science , vol.301 , pp. 926-927
    • Davis, R.J.1
  • 19
    • 38749127922 scopus 로고    scopus 로고
    • CO oxidation catalyzed by single-walled helical gold nanotube
    • W. An, Y. Pei, and X. Zeng CO oxidation catalyzed by single-walled helical gold nanotube Nano Lett. 8 2008 195 202
    • (2008) Nano Lett. , vol.8 , pp. 195-202
    • An, W.1    Pei, Y.2    Zeng, X.3
  • 26
    • 84863727576 scopus 로고    scopus 로고
    • Comprehensive study of the interaction between hydrogen halides and methanol derivatives
    • H. Raissi, M. Yoosefian, and F. Mollania Comprehensive study of the interaction between hydrogen halides and methanol derivatives Int. J. Quantum Chem. 112 2012 2782 2786
    • (2012) Int. J. Quantum Chem. , vol.112 , pp. 2782-2786
    • Raissi, H.1    Yoosefian, M.2    Mollania, F.3
  • 27
    • 70349297490 scopus 로고    scopus 로고
    • Analysis of the intra-molecular hydrogen bond strength in 3-hydroxy-propenethial (HPT)
    • M. Fazli, A. Jalbout, H. Raissi, H. Ghiassi, and M. Yoosefian Analysis of the intra-molecular hydrogen bond strength in 3-hydroxy-propenethial (HPT) J. Theor. Comput. Chem. 8 2009 713 732
    • (2009) J. Theor. Comput. Chem. , vol.8 , pp. 713-732
    • Fazli, M.1    Jalbout, A.2    Raissi, H.3    Ghiassi, H.4    Yoosefian, M.5
  • 28
    • 80052092147 scopus 로고    scopus 로고
    • Substituent effect on structure, electron density, and intramolecular hydrogen bonding in nitroso-oxime methane
    • M. Yoosefian, H. Raissi, E.S. Nadim, F. Farzad, M. Fazli, E. Karimzade, and A. Nowroozi Substituent effect on structure, electron density, and intramolecular hydrogen bonding in nitroso-oxime methane Int. J. Quantum Chem. 111 2011 3505 3516
    • (2011) Int. J. Quantum Chem. , vol.111 , pp. 3505-3516
    • Yoosefian, M.1    Raissi, H.2    Nadim, E.S.3    Farzad, F.4    Fazli, M.5    Karimzade, E.6    Nowroozi, A.7
  • 29
    • 77955600650 scopus 로고    scopus 로고
    • Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial
    • E.S. Nadim, H. Raissi, M. Yoosefian, F. Farzad, and A.R. Nowroozi Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial J. Sulfur Chem. 31 2010 275 285
    • (2010) J. Sulfur Chem. , vol.31 , pp. 275-285
    • Nadim, E.S.1    Raissi, H.2    Yoosefian, M.3    Farzad, F.4    Nowroozi, A.R.5
  • 30
    • 84865417909 scopus 로고    scopus 로고
    • Hydrogen bond studies in substituted imino-acetaldehyde oxime
    • H. Raissi, M. Yoosefian, and F. Mollania Hydrogen bond studies in substituted imino-acetaldehyde oxime Comput. Theor. Chem. 996 2012 68 75
    • (2012) Comput. Theor. Chem. , vol.996 , pp. 68-75
    • Raissi, H.1    Yoosefian, M.2    Mollania, F.3
  • 31
    • 77958152467 scopus 로고    scopus 로고
    • The effects of substitutions on structure, electron density, resonance and intramolecular hydrogen bonding strength in 3-mercapto-propenethial
    • H. Raissi, E.S. Nadim, M. Yoosefian, F. Farzad, E. Ghiamati, A.R. Nowroozi, M. Fazli, and A. Amoozadeh The effects of substitutions on structure, electron density, resonance and intramolecular hydrogen bonding strength in 3-mercapto-propenethial J. Mol. Struct.: THEOCHEM 960 2010 1 9
    • (2010) J. Mol. Struct.: THEOCHEM , vol.960 , pp. 1-9
    • Raissi, H.1    Nadim, E.S.2    Yoosefian, M.3    Farzad, F.4    Ghiamati, E.5    Nowroozi, A.R.6    Fazli, M.7    Amoozadeh, A.8
  • 32
    • 84856004757 scopus 로고    scopus 로고
    • Theoretical description of substituent effects in 2, 4-pentanedione: AIM, NBO, and NMR Study
    • H. Raissi, M. Yoosefian, A. Hajizadeh, M. KARIMI, and F. FARZAD Theoretical description of substituent effects in 2, 4-pentanedione: AIM, NBO, and NMR Study Bull. Chem. Soc. Jpn. 85 2012 87 92
    • (2012) Bull. Chem. Soc. Jpn. , vol.85 , pp. 87-92
    • Raissi, H.1    Yoosefian, M.2    Hajizadeh, A.3    Karimi, M.4    Farzad, F.5
  • 33
  • 34
    • 84555174861 scopus 로고    scopus 로고
    • Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde
    • H. Raissi, M. Yoosefian, F. Mollania, F. Farzad, and A.R. Nowroozi Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde Comput. Theor. Chem. 966 2011 299 305
    • (2011) Comput. Theor. Chem. , vol.966 , pp. 299-305
    • Raissi, H.1    Yoosefian, M.2    Mollania, F.3    Farzad, F.4    Nowroozi, A.R.5
  • 35
    • 0346948866 scopus 로고
    • Role of frontier orbitals in chemical reactions
    • K. Fukui Role of frontier orbitals in chemical reactions Science 218 1982 747 754
    • (1982) Science , vol.218 , pp. 747-754
    • Fukui, K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.