메뉴 건너뛰기




Volumn 185, Issue , 2013, Pages 512-522

A comparative theoretical study of CO2 sensing using inorganic AlN, BN and SiC single walled nanotubes

Author keywords

CO2 sensing; DFT calculation; Inorganic nanotubes; NBO analysis

Indexed keywords

ALUMINUM NITRIDE (ALN); DFT CALCULATION; ELECTRONIC CONDUCTANCE; HOMO-LUMO ENERGY GAP; INORGANIC NANOTUBES; NBO ANALYSIS; SILICON CARBIDES (SIC); SINGLE WALLED NANOTUBES;

EID: 84879113789     PISSN: 09254005     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.snb.2013.05.004     Document Type: Article
Times cited : (47)

References (48)
  • 1
    • 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
  • 3
    • 0034629474 scopus 로고    scopus 로고
    • Extreme oxygen sensitivity of electronic properties of carbon nanotubes
    • P.G. Collins, K. Bradley, M. Ishigami, and A. Zettl Extreme oxygen sensitivity of electronic properties of carbon nanotubes Science 287 2000 1801 1804
    • (2000) Science , vol.287 , pp. 1801-1804
    • Collins, P.G.1    Bradley, K.2    Ishigami, M.3    Zettl, A.4
  • 4
    • 33747865384 scopus 로고    scopus 로고
    • Chemical vapor detection using single walled carbon nanotubes
    • E.S. Snow, F.K. Perkins, and J.A. Robinson Chemical vapor detection using single walled carbon nanotubes Chemical Society Reviews 35 2006 790 798
    • (2006) Chemical Society Reviews , vol.35 , pp. 790-798
    • Snow, E.S.1    Perkins, F.K.2    Robinson, J.A.3
  • 9
    • 42749107571 scopus 로고    scopus 로고
    • Tuning the electronic properties of boron nitride nanotubes with transverse electric fields: A giant dc Stark effect
    • K.H. Khoo, M.S.C. Mazzoni, and S.G. Louie Tuning the electronic properties of boron nitride nanotubes with transverse electric fields: a giant dc Stark effect Physical Review B 69 2004 201401 201404
    • (2004) Physical Review B , vol.69 , pp. 201401-201404
    • Khoo, K.H.1    Mazzoni, M.S.C.2    Louie, S.G.3
  • 10
    • 11144335400 scopus 로고    scopus 로고
    • Band gap modification of single-walled carbon and boron nitride nanotubes under a transverse electric field
    • C.W. Chen, M.H. Lee, and S.J. Clark Band gap modification of single-walled carbon and boron nitride nanotubes under a transverse electric field Nanotechnology 15 2004 1837 1843
    • (2004) Nanotechnology , vol.15 , pp. 1837-1843
    • Chen, C.W.1    Lee, M.H.2    Clark, S.J.3
  • 15
    • 42749106289 scopus 로고    scopus 로고
    • Hydrogen adsorption on boron nitride nanotubes: A path to room-temperature hydrogen storage
    • S.H. Jhi, and Y.K. Kwon Hydrogen adsorption on boron nitride nanotubes: a path to room-temperature hydrogen storage Physical Review B 69 2004 245407 245410
    • (2004) Physical Review B , vol.69 , pp. 245407-245410
    • Jhi, S.H.1    Kwon, Y.K.2
  • 16
    • 34548074088 scopus 로고
    • Low-temperature growth of SiC thin-films on Si and 6H-SiC by solid-source molecular-beam epitaxy
    • A. Fissel, B. Schroter, and W. Richer Low-temperature growth of SiC thin-films on Si and 6H-SiC by solid-source molecular-beam epitaxy Applied Physics Letters 66 1995 3182 3184
    • (1995) Applied Physics Letters , vol.66 , pp. 3182-3184
    • Fissel, A.1    Schroter, B.2    Richer, W.3
  • 20
    • 57749202335 scopus 로고    scopus 로고
    • First principles study of NO and NNO chemisorption on silicon carbide nanotubes and other nanotubes
    • G.H. Gao, and H.S. Kang First principles study of NO and NNO chemisorption on silicon carbide nanotubes and other nanotubes Journal of Chemical Theory and Computation 4 2008 1690 1697
    • (2008) Journal of Chemical Theory and Computation , vol.4 , pp. 1690-1697
    • Gao, G.H.1    Kang, H.S.2
  • 21
    • 84863274309 scopus 로고    scopus 로고
    • DFT Studies on the interaction of an open-ended single-walled aluminum nitride nanotube (AINNT) with gas molecules
    • W.G. Liu, G.H. Chen, X.C. Huang, D. Wu, and Y.P. Yu DFT Studies on the interaction of an open-ended single-walled aluminum nitride nanotube (AINNT) with gas molecules Journal of Physical Chemistry C 116 2012 4957 4964
    • (2012) Journal of Physical Chemistry C , vol.116 , pp. 4957-4964
    • Liu, W.G.1    Chen, G.H.2    Huang, X.C.3    Wu, D.4    Yu, Y.P.5
  • 22
    • 61849176512 scopus 로고    scopus 로고
    • Ab initio study of confinement and surface effects in hexagonal AlN nanotubes
    • K. Rezouali, M.A. Belkhir, A. Houari, and J. Bai Ab initio study of confinement and surface effects in hexagonal AlN nanotubes Computation Materials Science 45 2009 305 309
    • (2009) Computation Materials Science , vol.45 , pp. 305-309
    • Rezouali, K.1    Belkhir, M.A.2    Houari, A.3    Bai, J.4
  • 23
    • 0037424724 scopus 로고    scopus 로고
    • Theoretical prediction on aluminum nitride nanotubes
    • D. Zhang, and R.Q. Zhang Theoretical prediction on aluminum nitride nanotubes Chemical Physics Letters 371 2003 426 432
    • (2003) Chemical Physics Letters , vol.371 , pp. 426-432
    • Zhang, D.1    Zhang, R.Q.2
  • 25
    • 1942445356 scopus 로고    scopus 로고
    • Strain energy and thermal stability of single-walled aluminum nitride nanotubes from first-principles calculations
    • M. Zhao, Y. Xia, Z. Tan, X. Liu, F. Li, B. Huang, Y. Ji, and L. Mei Strain energy and thermal stability of single-walled aluminum nitride nanotubes from first-principles calculations Chemical Physics Letters 389 2004 160 164
    • (2004) Chemical Physics Letters , vol.389 , pp. 160-164
    • Zhao, M.1    Xia, Y.2    Tan, Z.3    Liu, X.4    Li, F.5    Huang, B.6    Ji, Y.7    Mei, L.8
  • 27
    • 84869501151 scopus 로고    scopus 로고
    • Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane
    • Z. Mahdavifar, and M. Haghbayan Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane Applied Surface Science 263 2012 553 562
    • (2012) Applied Surface Science , vol.263 , pp. 553-562
    • Mahdavifar, Z.1    Haghbayan, M.2
  • 28
    • 77649185638 scopus 로고    scopus 로고
    • Chemical functionalization of single-walled carbon nanotube field-effect transistors as switches and sensors
    • S. Liu, Q. Shen, Y. Cao, L. Gan, Z. Wang, M.L. Steigerwald, and X. Guo Chemical functionalization of single-walled carbon nanotube field-effect transistors as switches and sensors Coordination Chemistry Reviews 254 2010 1101 1116
    • (2010) Coordination Chemistry Reviews , vol.254 , pp. 1101-1116
    • Liu, S.1    Shen, Q.2    Cao, Y.3    Gan, L.4    Wang, Z.5    Steigerwald, M.L.6    Guo, X.7
  • 29
    • 84859165361 scopus 로고    scopus 로고
    • Theoretical study of CO adsorption on the surface of BN, AlN, BP and AlP nanotubes
    • J. Beheshtian, M.T. Baei, and A.A. Peyghan Theoretical study of CO adsorption on the surface of BN, AlN, BP and AlP nanotubes Surface Science 606 2012 981 985
    • (2012) Surface Science , vol.606 , pp. 981-985
    • Beheshtian, J.1    Baei, M.T.2    Peyghan, A.A.3
  • 31
    • 80052329812 scopus 로고    scopus 로고
    • Metal (Pd, Pt)-decorated carbon nanotubes for CO and NO sensing
    • K. Li, W. Wang, and D. Cao Metal (Pd, Pt)-decorated carbon nanotubes for CO and NO sensing Sensors and Actuators B 159 2011 171 177
    • (2011) Sensors and Actuators B , vol.159 , pp. 171-177
    • Li, K.1    Wang, W.2    Cao, D.3
  • 33
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Physical Review B 77 1996 3865 3868
    • (1996) Physical Review B , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 37
    • 0000058492 scopus 로고
    • Proof that ∂e/∂ni = ε in density-functional theory
    • J.F. Janak Proof that ∂E/∂ni = ε in density-functional theory Physical Review B 18 1978 7165 7168
    • (1978) Physical Review B , vol.18 , pp. 7165-7168
    • Janak, J.F.1
  • 39
    • 80051600232 scopus 로고    scopus 로고
    • 4) (M = Sc, Ti, Fe, Ni; N = 1, 2) complexes as effective hydrogen storage materials
    • 4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials Structural Chemistry 22 2011 823 837
    • (2011) Structural Chemistry , vol.22 , pp. 823-837
    • Chakraborty, A.1    Gir, S.2    Chattaraj, P.K.3
  • 41
    • 33744458995 scopus 로고    scopus 로고
    • Interpretation of hydrogen bonding in the weak and strong regions using conceptual DFT descriptors
    • A.S. Özen, F. De Proft, V. Aviyente, and P. Geerlings Interpretation of hydrogen bonding in the weak and strong regions using conceptual DFT descriptors Journal of Physical Chemistry A 110 2006 5860 5868
    • (2006) Journal of Physical Chemistry A , vol.110 , pp. 5860-5868
    • Özen, A.S.1    De Proft, F.2    Aviyente, V.3    Geerlings, P.4
  • 42
    • 33744471424 scopus 로고    scopus 로고
    • First-principles calculations of AlN nanowires and nanotubes: Atomic structures, energetics, and surface states
    • M. Zhao, Y. Xia, X. Liu, Z. Tan, B. Huang, C. Song, and L. Mei First-principles calculations of AlN nanowires and nanotubes: atomic structures, energetics, and surface states Journal of Physical Chemistry B 110 2006 8764 8768
    • (2006) Journal of Physical Chemistry B , vol.110 , pp. 8764-8768
    • Zhao, M.1    Xia, Y.2    Liu, X.3    Tan, Z.4    Huang, B.5    Song, C.6    Mei, L.7
  • 43
    • 77952043444 scopus 로고    scopus 로고
    • Elastic and melting properties of crystalline SiC nanotubes
    • R.L. Zhou, L. Wang, and B.C. Pan Elastic and melting properties of crystalline SiC nanotubes Journal of Physical Chemistry C 114 2010 8199 8205
    • (2010) Journal of Physical Chemistry C , vol.114 , pp. 8199-8205
    • Zhou, R.L.1    Wang, L.2    Pan, B.C.3
  • 44
    • 77951884697 scopus 로고    scopus 로고
    • Adsorption of carbon dioxide and nitrogen on single-layer aluminum nitride nanostructures studied by density functional theory
    • Y. Jiao, A. Du, Z. Zhu, Victor Rudolph, and C. Smith Sean Adsorption of carbon dioxide and nitrogen on single-layer aluminum nitride nanostructures studied by density functional theory Journal of Physical Chemistry C 114 2010 7846 7849
    • (2010) Journal of Physical Chemistry C , vol.114 , pp. 7846-7849
    • Jiao, Y.1    Du, A.2    Zhu, Z.3    Rudolph, V.4    Sean, C.S.5
  • 45
    • 0036540952 scopus 로고    scopus 로고
    • Gas molecule adsorption in carbon nanotubes and nanotube bundles
    • J. Zhao1, A. Buldum, J. Han, and J. Ping Lu Gas molecule adsorption in carbon nanotubes and nanotube bundles Nanotechnology 13 2002 195 200
    • (2002) Nanotechnology , vol.13 , pp. 195-200
    • ZhaoL, J.1    Buldum, A.2    Han, J.3    Ping Lu, J.4
  • 46
    • 0037139593 scopus 로고    scopus 로고
    • Nucleophilic or electrophilic phosphinidene complexes MLnPH; What makes the difference?
    • A.W. Ehlers, E.J. Baerends, and K. Lammertsma Nucleophilic or electrophilic phosphinidene complexes MLnPH; what makes the difference? Journal of the American Chemical Society 124 2002 2831 2838
    • (2002) Journal of the American Chemical Society , vol.124 , pp. 2831-2838
    • Ehlers, A.W.1    Baerends, E.J.2    Lammertsma, K.3
  • 48
    • 0011083499 scopus 로고
    • Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
    • A.E. Reed, L.A. Curtiss, and F. Weinhold Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint Chemical Reviews 88 1988 899 926
    • (1988) Chemical Reviews , vol.88 , pp. 899-926
    • Reed, A.E.1    Curtiss, L.A.2    Weinhold, F.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.