메뉴 건너뛰기




Volumn 212, Issue , 2015, Pages 55-62

The hybrid of Pd and SWCNT (Pd loaded on SWCNT) as an efficient sensor for the formaldehyde molecule detection: A DFT study

Author keywords

Keywords Formaldehyde Pd loaded SWCNT NBO AIM Sensor

Indexed keywords

ATOMS; CARBON; CHARGE TRANSFER; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; FORMALDEHYDE; MOLECULAR ORBITALS; MOLECULES; TOPOLOGY; YARN;

EID: 84923252775     PISSN: 09254005     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.snb.2015.02.004     Document Type: Article
Times cited : (86)

References (47)
  • 1
    • 0038033665 scopus 로고
    • Single-shell carbon nanotubes of 1-nm diameter
    • T.I.S. Iijima Single-shell carbon nanotubes of 1-nm diameter Nature 1993 603 605
    • (1993) Nature , pp. 603-605
    • Iijima, T.I.S.1
  • 2
    • 0342819025 scopus 로고
    • Helical microtubules of graphitic carbon
    • S. Iijima Helical microtubules of graphitic carbon Nature 354 1991 56 58
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 4
    • 0037008487 scopus 로고    scopus 로고
    • Carbon nanotubes - The route toward applications
    • A.A. Zakhidov, and W.A. de Heer Carbon nanotubes - the route toward applications Science 297 2002 787 792
    • (2002) Science , vol.297 , pp. 787-792
    • Zakhidov, A.A.1    De Heer, W.A.2
  • 8
    • 69249142174 scopus 로고    scopus 로고
    • Organic functionalisation and characterisation of single-walled carbon nanotubes
    • S.C.P. Singh, S. Giordani, D. Bonifazi, A. Bianco, and M. Prato Organic functionalisation and characterisation of single-walled carbon nanotubes Chem. Soc. Rev. 38 2009 2214 2230
    • (2009) Chem. Soc. Rev. , vol.38 , pp. 2214-2230
    • Singh, S.C.P.1    Giordani, S.2    Bonifazi, D.3    Bianco, A.4    Prato, M.5
  • 9
    • 68949174090 scopus 로고    scopus 로고
    • Controlled-access hollow mechanized silica nanocontainers
    • Y.-L. Zhao, and J.F. Stoddart Controlled-access hollow mechanized silica nanocontainers Acc. Chem. Res. 42 2009 1161 1171
    • (2009) Acc. Chem. Res. , vol.42 , pp. 1161-1171
    • Zhao, Y.-L.1    Stoddart, J.F.2
  • 10
    • 25844483665 scopus 로고    scopus 로고
    • DNA-decorated carbon nanotubes for chemical sensing
    • C. Staii, A.T. Johnson, M. Chen, and A. Gelperin DNA-decorated carbon nanotubes for chemical sensing Nano Lett. 5 2005 1774 1778
    • (2005) Nano Lett. , vol.5 , pp. 1774-1778
    • Staii, C.1    Johnson, A.T.2    Chen, M.3    Gelperin, A.4
  • 11
    • 30644470955 scopus 로고    scopus 로고
    • Capacitance and conductance of single-walled carbon nanotubes in the presence of chemical vapors
    • E.S. Snow, and F.K. Perkins Capacitance and conductance of single-walled carbon nanotubes in the presence of chemical vapors Nano Lett. 5 2005 2414 2417
    • (2005) Nano Lett. , vol.5 , pp. 2414-2417
    • Snow, E.S.1    Perkins, F.K.2
  • 13
    • 0038262624 scopus 로고    scopus 로고
    • Toward large arrays of multiplex functionalized carbon nanotube sensors for highly sensitive and selective molecular detection
    • P. Qi, O. Vermesh, M. Grecu, A. Javey, Q. Wang, and H. Dai Toward large arrays of multiplex functionalized carbon nanotube sensors for highly sensitive and selective molecular detection Nano Lett. 3 2003 347 351
    • (2003) Nano Lett. , vol.3 , pp. 347-351
    • Qi, P.1    Vermesh, O.2    Grecu, M.3    Javey, A.4    Wang, Q.5    Dai, H.6
  • 14
    • 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
  • 15
    • 0035860306 scopus 로고    scopus 로고
    • Functionalized carbon nanotubes for molecular hydrogen sensors
    • J. Kong, M.G. Chapline, and H. Dai Functionalized carbon nanotubes for molecular hydrogen sensors Adv. Mater. 13 2001 1384 1386
    • (2001) Adv. Mater. , vol.13 , pp. 1384-1386
    • Kong, J.1    Chapline, M.G.2    Dai, H.3
  • 16
    • 0036680187 scopus 로고    scopus 로고
    • Review of the doping of carbon nanotubes (multiwalled and single-walled)
    • L. Duclaux Review of the doping of carbon nanotubes (multiwalled and single-walled) Carbon 40 2002 1751 1764
    • (2002) Carbon , vol.40 , pp. 1751-1764
    • Duclaux, L.1
  • 18
    • 32544459742 scopus 로고    scopus 로고
    • Inhaled formaldehyde: Evaluation of sensory irritation in relation to carcinogenicity
    • J.H. Arts, M.A. Rennen, and C. de Heer Inhaled formaldehyde: evaluation of sensory irritation in relation to carcinogenicity Regul. Toxicol. Pharm. 44 2006 144 160
    • (2006) Regul. Toxicol. Pharm. , vol.44 , pp. 144-160
    • Arts, J.H.1    Rennen, M.A.2    De Heer, C.3
  • 19
    • 0842321774 scopus 로고    scopus 로고
    • Pulmonary edema fluid from patients with early lung injury stimulates fibroblast proliferation through IL-1β-induced IL-6 expression
    • M.A. Olman, K.E. White, L.B. Ware, W.L. Simmons, E.N. Benveniste, and S. Zhu Pulmonary edema fluid from patients with early lung injury stimulates fibroblast proliferation through IL-1β-induced IL-6 expression J. Immunol. 172 2004 2668 2677
    • (2004) J. Immunol. , vol.172 , pp. 2668-2677
    • Olman, M.A.1    White, K.E.2    Ware, L.B.3    Simmons, W.L.4    Benveniste, E.N.5    Zhu, S.6
  • 20
    • 0035989822 scopus 로고    scopus 로고
    • Domestic exposure to formaldehyde significantly increases the risk of asthma in young children
    • K. Rumchev, J. Spickett, M. Bulsara, M. Phillips, and S. Stick Domestic exposure to formaldehyde significantly increases the risk of asthma in young children Eur. Respir. J. 20 2002 403 408
    • (2002) Eur. Respir. J. , vol.20 , pp. 403-408
    • Rumchev, K.1    Spickett, J.2    Bulsara, M.3    Phillips, M.4    Stick, S.5
  • 21
    • 27744475622 scopus 로고    scopus 로고
    • Risk assessment of formaldehyde for the general population in Japan
    • M. Naya, and J. Nakanishi Risk assessment of formaldehyde for the general population in Japan Regul. Toxicol. Pharm. 43 2005 232 248
    • (2005) Regul. Toxicol. Pharm. , vol.43 , pp. 232-248
    • Naya, M.1    Nakanishi, J.2
  • 22
    • 84855476037 scopus 로고    scopus 로고
    • Anti-inflammatory effect of Daucus carota root on experimental colitis in rats
    • M.V.K. Patil, A.D. Kandhare, and S.D. Bhise Anti-inflammatory effect of Daucus carota root on experimental colitis in rats Int. J. Pharm. Pharm. Sci. 4 2012 337 343
    • (2012) Int. J. Pharm. Pharm. Sci. , vol.4 , pp. 337-343
    • Patil, M.V.K.1    Kandhare, A.D.2    Bhise, S.D.3
  • 23
    • 33645713460 scopus 로고    scopus 로고
    • Occupational risk factors for esophageal and stomach cancers among female textile workers in Shanghai, China
    • K.J. Wernli, E.D. Fitzgibbons, R.M. Ray, D.L. Gao, W. Li, and N.S. Seixas Occupational risk factors for esophageal and stomach cancers among female textile workers in Shanghai, China Am. J. Epidemiol. 163 2006 717 725
    • (2006) Am. J. Epidemiol. , vol.163 , pp. 717-725
    • Wernli, K.J.1    Fitzgibbons, E.D.2    Ray, R.M.3    Gao, D.L.4    Li, W.5    Seixas, N.S.6
  • 24
    • 66849113471 scopus 로고    scopus 로고
    • Mortality from lymphohematopoietic malignancies among workers in formaldehyde industries: The National Cancer Institute Cohort
    • L.E.B. Freeman, A. Blair, J.H. Lubin, P.A. Stewart, R.B. Hayes, and R.N. Hoover Mortality from lymphohematopoietic malignancies among workers in formaldehyde industries: the National Cancer Institute Cohort J. Natl. Cancer Inst. 101 2009 751 761
    • (2009) J. Natl. Cancer Inst. , vol.101 , pp. 751-761
    • Freeman, L.E.B.1    Blair, A.2    Lubin, J.H.3    Stewart, P.A.4    Hayes, R.B.5    Hoover, R.N.6
  • 26
    • 33947177182 scopus 로고    scopus 로고
    • A self-heating gas sensor with integrated NiO thin-film for formaldehyde detection
    • C.-Y. Lee, C.-M. Chiang, Y.-H. Wang, and R.-H. Ma A self-heating gas sensor with integrated NiO thin-film for formaldehyde detection Sens. Actuators B: Chem. 122 2007 503 510
    • (2007) Sens. Actuators B: Chem. , vol.122 , pp. 503-510
    • Lee, C.-Y.1    Chiang, C.-M.2    Wang, Y.-H.3    Ma, R.-H.4
  • 28
    • 79952425688 scopus 로고    scopus 로고
    • Nanoporous polystyrene fibers functionalized by polyethyleneimine for enhanced formaldehyde sensing
    • C. Zhang, X. Wang, J. Lin, B. Ding, J. Yu, and N. Pan Nanoporous polystyrene fibers functionalized by polyethyleneimine for enhanced formaldehyde sensing Sens. Actuators B: Chem. 152 2011 316 323
    • (2011) Sens. Actuators B: Chem. , vol.152 , pp. 316-323
    • Zhang, C.1    Wang, X.2    Lin, J.3    Ding, B.4    Yu, J.5    Pan, N.6
  • 29
    • 84856570047 scopus 로고    scopus 로고
    • Formaldehyde adsorption on pristine, Al-doped and mono-vacancy defected boron nitride nanosheets: A first principles study
    • S. Noorizadeh, and E. Shakerzadeh Formaldehyde adsorption on pristine, Al-doped and mono-vacancy defected boron nitride nanosheets: a first principles study Comput. Mater. Sci. 56 2012 122 130
    • (2012) Comput. Mater. Sci. , vol.56 , pp. 122-130
    • Noorizadeh, S.1    Shakerzadeh, E.2
  • 31
    • 70249113678 scopus 로고    scopus 로고
    • Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: A first principle study
    • M. Chi, and Y.-P. Zhao Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: a first principle study Comput. Mater. Sci. 46 2009 1085 1090
    • (2009) Comput. Mater. Sci. , vol.46 , pp. 1085-1090
    • Chi, M.1    Zhao, Y.-P.2
  • 32
    • 84886920214 scopus 로고    scopus 로고
    • Modeling the formaldehyde-graphene interaction using a formaldehyde-pyrene system
    • L.S. Dodda, and U. Lourderaj Modeling the formaldehyde-graphene interaction using a formaldehyde-pyrene system Phys. Chem. Chem. Phys. 15 2013 17479 17486
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 17479-17486
    • Dodda, L.S.1    Lourderaj, U.2
  • 33
    • 84887121982 scopus 로고    scopus 로고
    • Adsorption of formaldehyde molecule on Al-doped vacancy-defected single-walled carbon nanotubes: A theoretical study
    • Q. Zhou, C. Wang, Z. Fu, H. Zhang, and Y. Tang Adsorption of formaldehyde molecule on Al-doped vacancy-defected single-walled carbon nanotubes: a theoretical study Comput. Mater. Sci. 82 2014 337 344
    • (2014) Comput. Mater. Sci. , vol.82 , pp. 337-344
    • Zhou, Q.1    Wang, C.2    Fu, Z.3    Zhang, H.4    Tang, Y.5
  • 34
    • 84908406362 scopus 로고    scopus 로고
    • A DFT study of formaldehyde adsorption on functionalized graphene nanoribbons
    • Z. Maaghoul, F. Fazileh, and J. Kakemam A DFT study of formaldehyde adsorption on functionalized graphene nanoribbons Phys. E: Low-dimens. Syst. Nanostruct. 66 2015 176 180
    • (2015) Phys. E: Low-dimens. Syst. Nanostruct. , vol.66 , pp. 176-180
    • Maaghoul, Z.1    Fazileh, F.2    Kakemam, J.3
  • 36
    • 27344448074 scopus 로고
    • Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
    • P.J. Hay, and W.R. Wadt Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals J. Chem. Phys. 82 1985 299 310
    • (1985) J. Chem. Phys. , vol.82 , pp. 299-310
    • Hay, P.J.1    Wadt, W.R.2
  • 37
    • 33748545144 scopus 로고
    • The influence of polarization functions on molecular orbital hydrogenation energies
    • P.C. Hariharan, and J.A. Pople The influence of polarization functions on molecular orbital hydrogenation energies Theor. Chim. Acta 28 1973 213 222
    • (1973) Theor. Chim. Acta , vol.28 , pp. 213-222
    • Hariharan, P.C.1    Pople, J.A.2
  • 42
    • 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
  • 43
    • 84861592859 scopus 로고    scopus 로고
    • Theoretical study of the effects of substitution, solvation, and structure on the interaction between nitriles and methanol
    • H. Raissi, F. Farzad, E.S. Nadim, M. Yoosefian, H. Farsi, and A. Nowroozi Theoretical study of the effects of substitution, solvation, and structure on the interaction between nitriles and methanol Int. J. Quantum Chem. 112 2012 1273 1284
    • (2012) Int. J. Quantum Chem. , vol.112 , pp. 1273-1284
    • Raissi, H.1    Farzad, F.2    Nadim, E.S.3    Yoosefian, M.4    Farsi, H.5    Nowroozi, A.6
  • 44
    • 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
  • 45
    • 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, and E. Karimzade 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
  • 46
    • 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 275 785
    • (2010) J. Sulfur Chem. , vol.31 , pp. 275-785
    • Nadim, E.S.1    Raissi, H.2    Yoosefian, M.3    Farzad, F.4    Nowroozi, A.R.5
  • 47
    • 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, and A.R. Nowroozi 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.