메뉴 건너뛰기




Volumn 26, Issue 3, 2015, Pages 809-814

The electronic response of nano-sized tube of BeO to CO molecule: A density functional study

Author keywords

Ab initio calculations; Electronic structure; Inorganic compounds; Nanostructures

Indexed keywords


EID: 84938369158     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-014-0548-6     Document Type: Article
Times cited : (45)

References (34)
  • 1
    • 0035875746 scopus 로고    scopus 로고
    • 2 thin-films for oxygen sensing prepared by sol-gel process
    • 1:CAS:528:DC%2BD3MXksFSkurw%3D
    • 2 thin-films for oxygen sensing prepared by sol-gel process. Sens Actuators B 77:484
    • (2001) Sens Actuators B , vol.77 , pp. 484
    • Zhuiykov, S.1    Wlodarski, W.2    Li, Y.3
  • 3
    • 84863624301 scopus 로고    scopus 로고
    • A theoretical study of CO adsorption on aluminum nitride nanotubes
    • 1:CAS:528:DC%2BC38Xmt1CjtrY%3D
    • Beheshtian J, Bagheri Z, Kamfiroozi M, Ahmadi A (2012) A theoretical study of CO adsorption on aluminum nitride nanotubes. Struct Chem 23:653
    • (2012) Struct Chem , vol.23 , pp. 653
    • Beheshtian, J.1    Bagheri, Z.2    Kamfiroozi, M.3    Ahmadi, A.4
  • 4
    • 56349159501 scopus 로고    scopus 로고
    • Quasi-one dimensional metal oxide semiconductors: Preparation, characterization and application as chemical sensors
    • 1:CAS:528:DC%2BD1cXhsVagsbfM
    • Comini E, Baratto C, Faglia G, Ferroni M, Vomiero A, Sberveglieri G (2009) Quasi-one dimensional metal oxide semiconductors: preparation, characterization and application as chemical sensors. Progress in Mater Sci 54:1
    • (2009) Progress in Mater Sci , vol.54 , pp. 1
    • Comini, E.1    Baratto, C.2    Faglia, G.3    Ferroni, M.4    Vomiero, A.5    Sberveglieri, G.6
  • 5
    • 84355166657 scopus 로고    scopus 로고
    • Computational study of CO and NO adsorption on magnesium oxide nanotubes
    • 1:CAS:528:DC%2BC3MXhs1yntLfN
    • Beheshtian J, Kamfiroozi M, Bagheri Z, Ahmadi A (2011) Computational study of CO and NO adsorption on magnesium oxide nanotubes. Physica E 44:546
    • (2011) Physica E , vol.44 , pp. 546
    • Beheshtian, J.1    Kamfiroozi, M.2    Bagheri, Z.3    Ahmadi, A.4
  • 7
    • 33646592845 scopus 로고    scopus 로고
    • Metal oxide nano-crystals for gas sensing
    • 1:CAS:528:DC%2BD28XltVWgs7c%3D
    • Comini E (2006) Metal oxide nano-crystals for gas sensing. Anal Chim Acta 568:28
    • (2006) Anal Chim Acta , vol.568 , pp. 28
    • Comini, E.1
  • 8
    • 33846267688 scopus 로고    scopus 로고
    • Metal oxide-based gas sensor research: How to?
    • 1:CAS:528:DC%2BD2sXhtValtb0%3D
    • Barsan N, Koziej D, Weimar U (2007) Metal oxide-based gas sensor research: How to? Sens Actuators B 121:18
    • (2007) Sens Actuators B , vol.121 , pp. 18
    • Barsan, N.1    Koziej, D.2    Weimar, U.3
  • 9
    • 0342819025 scopus 로고
    • Helical microtubules of graphitic carbon
    • 1:CAS:528:DyaK38Xmt1Ojtg%3D%3D
    • Iijima S (1991) Helical microtubules of graphitic carbon. Nature 354:56
    • (1991) Nature , vol.354 , pp. 56
    • Iijima, S.1
  • 10
    • 43849098884 scopus 로고    scopus 로고
    • Effective synthesis of surface-modified boron nitride nanotubes and related nanostructures and their hydrogen uptake
    • 1:CAS:528:DC%2BD1cXmt1Omtrk%3D
    • Terao T, Bando Y, Mitome M, Kurashima K, Zhi CY, Tang CC, Golberg D (2008) Effective synthesis of surface-modified boron nitride nanotubes and related nanostructures and their hydrogen uptake. Physica E 40:2551
    • (2008) Physica E , vol.40 , pp. 2551
    • Terao, T.1    Bando, Y.2    Mitome, M.3    Kurashima, K.4    Zhi, C.Y.5    Tang, C.C.6    Golberg, D.7
  • 11
    • 0043063912 scopus 로고    scopus 로고
    • Synthesis and characterisation of medium surface area silicon carbide nanotubes
    • 1:CAS:528:DC%2BD3sXlvFOltbk%3D
    • Keller N, Pham-Huu C, Ehret G, Keller V, Ledoux MJ (2003) Synthesis and characterisation of medium surface area silicon carbide nanotubes. Carbon 41:2131
    • (2003) Carbon , vol.41 , pp. 2131
    • Keller, N.1    Pham-Huu, C.2    Ehret, G.3    Keller, V.4    Ledoux, M.J.5
  • 12
    • 61649084177 scopus 로고    scopus 로고
    • Raman and infrared-active modes in MgO nanotubes
    • 1:CAS:528:DC%2BD1MXjt1eksb0%3D
    • Chen L, Xu C, Zhang XF, Zhou T (2009) Raman and infrared-active modes in MgO nanotubes. Physica E 41:852
    • (2009) Physica E , vol.41 , pp. 852
    • Chen, L.1    Xu, C.2    Zhang, X.F.3    Zhou, T.4
  • 13
    • 0037194079 scopus 로고    scopus 로고
    • 2 nanotubes: New semiconductors and metals in one dimension
    • 2 nanotubes: new semiconductors and metals in one dimension. Phys Rev Lett 89:056403
    • (2002) Phys Rev Lett , vol.89 , pp. 056403
    • Zhang, P.1    Crespi, V.H.2
  • 14
    • 84873582629 scopus 로고    scopus 로고
    • Optical properties of BeO nanotubes: Ab initio study
    • 1:CAS:528:DC%2BC3sXitFCntb4%3D
    • Fathalian A, Moradian R, Shahrokhi M (2013) Optical properties of BeO nanotubes: Ab initio study. Solid State Commun 156:1
    • (2013) Solid State Commun , vol.156 , pp. 1
    • Fathalian, A.1    Moradian, R.2    Shahrokhi, M.3
  • 15
    • 52949093873 scopus 로고    scopus 로고
    • Electronic structure and magnetism in BeO nanotubes induced by boron, carbon and nitrogen doping, and beryllium and oxygen vacancies inside tube walls
    • 1:CAS:528:DC%2BD1cXhtFOgs7jM
    • Gorbunova MA, Shein IR, Makurin YN, Ivanovskaya VV, Kijko VS, Ivanovskii AL (2008) Electronic structure and magnetism in BeO nanotubes induced by boron, carbon and nitrogen doping, and beryllium and oxygen vacancies inside tube walls. Physica E 41:164
    • (2008) Physica E , vol.41 , pp. 164
    • Gorbunova, M.A.1    Shein, I.R.2    Makurin, Y.N.3    Ivanovskaya, V.V.4    Kijko, V.S.5    Ivanovskii, A.L.6
  • 16
    • 60449097759 scopus 로고    scopus 로고
    • Structural, elastic, electronic, and phonon properties of zinc-blende and wurtzite BeO
    • Duman S, Sutlu A, Bagcl S, Tutuncu HM, Srivastava GP (2009) Structural, elastic, electronic, and phonon properties of zinc-blende and wurtzite BeO. J Appl Phys 105:033719
    • (2009) J Appl Phys , vol.105 , pp. 033719
    • Duman, S.1    Sutlu, A.2    Bagcl, S.3    Tutuncu, H.M.4    Srivastava, G.P.5
  • 18
    • 34547702682 scopus 로고    scopus 로고
    • Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes
    • Baumeier B, Kruger P, Pollmann J (2007) Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes. Phy Rev B 76:085407
    • (2007) Phy Rev B , vol.76 , pp. 085407
    • Baumeier, B.1    Kruger, P.2    Pollmann, J.3
  • 22
    • 33846839157 scopus 로고    scopus 로고
    • A novel aluminum-doped carbon nanotubes sensor for carbon monoxide
    • 1:CAS:528:DC%2BD2sXhsFKmtro%3D
    • Wang R, Zhang D, Sun W, Han Z, Liu C (2007) A novel aluminum-doped carbon nanotubes sensor for carbon monoxide. J. Mol. Struct 806:93
    • (2007) J. Mol. Struct , vol.806 , pp. 93
    • Wang, R.1    Zhang, D.2    Sun, W.3    Han, Z.4    Liu, C.5
  • 23
    • 79954437951 scopus 로고    scopus 로고
    • 3 at the open ends of boron nitride nanotubes: A DFT study
    • 1:CAS:528:DC%2BC3MXhsFCis7w%3D
    • 3 at the open ends of boron nitride nanotubes: a DFT study. Struct Chem 22:183-188
    • (2011) Struct Chem , vol.22 , pp. 183-188
    • Ahmadi, A.1    Beheshtian, J.2    Hadipour, N.L.3
  • 24
    • 84864283645 scopus 로고    scopus 로고
    • Detection of phosgene by Sc-doped BN nanotubes: A DFT study
    • Beheshtian J, Peyghan AA, Bagheri Z (2012) Detection of phosgene by Sc-doped BN nanotubes: a DFT study. Sens Actuators B 171-172:846
    • (2012) Sens Actuators B , vol.171-172 , pp. 846
    • Beheshtian, J.1    Peyghan, A.A.2    Bagheri, Z.3
  • 26
    • 84877339507 scopus 로고    scopus 로고
    • Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study
    • 1:CAS:528:DC%2BC3sXotlymtbc%3D
    • Peyghan AA, Noei M, Yourdkhani S (2013) Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study. Superlattices Microstruct 59:115
    • (2013) Superlattices Microstruct , vol.59 , pp. 115
    • Peyghan, A.A.1    Noei, M.2    Yourdkhani, S.3
  • 27
    • 84874742533 scopus 로고    scopus 로고
    • Density functional theory investigation of the VIIIB transition metal atoms deposited on (5,5) single-walled carbon nanotubes
    • 1:CAS:528:DC%2BC3sXlt1Cht7w%3D
    • Tabtimsai C, Ruangpornvisuti V, Wanno B (2013) Density functional theory investigation of the VIIIB transition metal atoms deposited on (5,5) single-walled carbon nanotubes. Physica E 49:61
    • (2013) Physica E , vol.49 , pp. 61
    • Tabtimsai, C.1    Ruangpornvisuti, V.2    Wanno, B.3
  • 28
    • 84867897202 scopus 로고    scopus 로고
    • Fluorination of the exterior surface of AlN nanotube: A DFT study
    • Baei MT, Peyghan AA, Bagheri Z (2012) Fluorination of the exterior surface of AlN nanotube: a DFT study. Superlattices Microstruct 53:9
    • (2012) Superlattices Microstruct , vol.53 , pp. 9
    • Baei, M.T.1    Peyghan, A.A.2    Bagheri, Z.3
  • 29
    • 67349165038 scopus 로고    scopus 로고
    • Theoretical investigation of [5, 5], [9, 0] and [10, 10] closed SWCNTs
    • 1:CAS:528:DC%2BD1MXmtlKrurw%3D
    • Gan LH, Zhao JQ (2009) Theoretical investigation of [5, 5], [9, 0] and [10, 10] closed SWCNTs. Physica E 41:1249
    • (2009) Physica E , vol.41 , pp. 1249
    • Gan, L.H.1    Zhao, J.Q.2
  • 30
    • 40549115627 scopus 로고    scopus 로고
    • Cclib: A library for package-independent computational chemistry algorithms
    • O'Boyle N, Tenderholt A, Langner K (2008) cclib: A library for package-independent computational chemistry algorithms. J Comput Chem 29:839
    • (2008) J Comput Chem , vol.29 , pp. 839
    • O'Boyle, N.1    Tenderholt, A.2    Langner, K.3
  • 31
    • 84872120667 scopus 로고    scopus 로고
    • Structural, electronic and magnetic properties of linear monoatomic chains adsorption on beryllium oxidenanotube: First-principle study
    • 1:CAS:528:DC%2BC3sXjvFWjug%3D%3D
    • Ma LC, Zhao HS, Yan WJ (2013) Structural, electronic and magnetic properties of linear monoatomic chains adsorption on beryllium oxidenanotube: first-principle study. J. Magnetism Magnetic Mater 330:174
    • (2013) J. Magnetism Magnetic Mater , vol.330 , pp. 174
    • Ma, L.C.1    Zhao, H.S.2    Yan, W.J.3
  • 33
    • 79951674557 scopus 로고    scopus 로고
    • Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes
    • Azizi K, Hashemianzadeh SM, Bahramifar S (2011) Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes. Curr Appl Phys 11:776
    • (2011) Curr Appl Phys , vol.11 , pp. 776
    • Azizi, K.1    Hashemianzadeh, S.M.2    Bahramifar, S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.