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Erschienen in: Journal of Nanoparticle Research 10/2011

01.10.2011 | Research Paper

Mechanism of local stress release in armchair single-wall zinc oxide nanotube under tensile loading

Erschienen in: Journal of Nanoparticle Research | Ausgabe 10/2011

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Abstract

The deformation mechanism of zinc oxide (ZnO) nanotube has been first examined by molecular dynamics. The result demonstrated that ZnO nanotubes relax it excess strain via the phase transformation from an armchair structure to a fourfold-coordinated structure, then to a zigzag structure, which is started by a slip deformation. In contrast to carbon, silicon carbide, and boron nitride nanotubes, they relax it local stress via the transformation of the Stone–Wales transformation. After yielding, the 8-4 dislocation loops are found and the numbers of 8-4 dislocation loops grow up, which relax the tensile strain at the necking region and leads the work hardening. Finally, the nanotube is broken down by crack deformation at the interface between different phases.

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Literatur
Zurück zum Zitat An W, Wu XJ, Zeng XC (2008) Adsorption of O-2, H-2, CO, NH3, and NO2 on ZnO nanotube: A density functional theory study. J Phys Chem C 112:5747–5755CrossRef An W, Wu XJ, Zeng XC (2008) Adsorption of O-2, H-2, CO, NH3, and NO2 on ZnO nanotube: A density functional theory study. J Phys Chem C 112:5747–5755CrossRef
Zurück zum Zitat Chandra N, Namilae S, Shet C (2004) Local elastic properties of carbon nanotubes in the presence of Stone–Wales defects. Phys Rev B 69:094101CrossRef Chandra N, Namilae S, Shet C (2004) Local elastic properties of carbon nanotubes in the presence of Stone–Wales defects. Phys Rev B 69:094101CrossRef
Zurück zum Zitat Chou HC, Rohatgi A, Jokerst NM, Kamra S, Stock SR, Lowrie SL, Ahrenkiel RK, Levi DH (1996) Approach toward high efficiency CdTe/CdS heterojunction solar cells. Mater Chem Phys 43:178–182CrossRef Chou HC, Rohatgi A, Jokerst NM, Kamra S, Stock SR, Lowrie SL, Ahrenkiel RK, Levi DH (1996) Approach toward high efficiency CdTe/CdS heterojunction solar cells. Mater Chem Phys 43:178–182CrossRef
Zurück zum Zitat Chowdhury R, Adhikari S, Scarpa F (2010) Elasticity and piezoelectricity of zinc oxide nanostructure. Physica E 42:2036–2040CrossRef Chowdhury R, Adhikari S, Scarpa F (2010) Elasticity and piezoelectricity of zinc oxide nanostructure. Physica E 42:2036–2040CrossRef
Zurück zum Zitat Chu XF, Jiang DL, Djurisic AB, Yu HL (2005) Gas-sensing properties of thick film based on ZnO nano-tetrapods. Chem Phys Lett 401:426–429CrossRef Chu XF, Jiang DL, Djurisic AB, Yu HL (2005) Gas-sensing properties of thick film based on ZnO nano-tetrapods. Chem Phys Lett 401:426–429CrossRef
Zurück zum Zitat Chubachi N (1976) ZnO films for surface acoustooptic devices on nonpiezoelectric substrates. Proc IEEE 64:772–774CrossRef Chubachi N (1976) ZnO films for surface acoustooptic devices on nonpiezoelectric substrates. Proc IEEE 64:772–774CrossRef
Zurück zum Zitat Das R, Ray S (2003) Zinc oxide—a transparent, conducting IR-reflector prepared by rf-magnetron sputtering. J Phys D 36:152–155CrossRef Das R, Ray S (2003) Zinc oxide—a transparent, conducting IR-reflector prepared by rf-magnetron sputtering. J Phys D 36:152–155CrossRef
Zurück zum Zitat Dumitrică T, Yakobson BI (2005) Rate theory of yield in boron nitride nanotubes. Phys Rev B 72:035418CrossRef Dumitrică T, Yakobson BI (2005) Rate theory of yield in boron nitride nanotubes. Phys Rev B 72:035418CrossRef
Zurück zum Zitat Erkoc S, Kokten H (2005) Structural and electronic properties of single-wall ZnO nanotubes. Physica E 28:162–170CrossRef Erkoc S, Kokten H (2005) Structural and electronic properties of single-wall ZnO nanotubes. Physica E 28:162–170CrossRef
Zurück zum Zitat Ferekides C, Britt J (1994) CdTe solar-cells with efficiencies over 15-percent. Sol Energy Mater Sol Cells 35:255–262CrossRef Ferekides C, Britt J (1994) CdTe solar-cells with efficiencies over 15-percent. Sol Energy Mater Sol Cells 35:255–262CrossRef
Zurück zum Zitat Fulati A, Ali SMU, Riaz M, Amin G, Nur O, Willander M (2009) Miniaturized pH sensors based on zinc oxide nanotubes/nanorods. Sensors 9:8911–8923CrossRef Fulati A, Ali SMU, Riaz M, Amin G, Nur O, Willander M (2009) Miniaturized pH sensors based on zinc oxide nanotubes/nanorods. Sensors 9:8911–8923CrossRef
Zurück zum Zitat Hoover WG (1985) Canonical dynamics: equilibrium phase-space distributions. Phys Rev A 31:1695–1697CrossRef Hoover WG (1985) Canonical dynamics: equilibrium phase-space distributions. Phys Rev A 31:1695–1697CrossRef
Zurück zum Zitat Huang MH, Mao S, Feick H, Yan HQ, Wu YY, Kind H, Weber E, Russo R, Yang PD (2001) Room-temperature ultraviolet nanowire nanolasers. Science 292:1897–1899CrossRef Huang MH, Mao S, Feick H, Yan HQ, Wu YY, Kind H, Weber E, Russo R, Yang PD (2001) Room-temperature ultraviolet nanowire nanolasers. Science 292:1897–1899CrossRef
Zurück zum Zitat Jing LQ, Wang BQ, Xin BF, Li SD, Shi KY, Cai WM, Fu HG (2004) Investigations on the surface modification of ZnO nanoparticle photocatalyst by depositing Pd. J Solid State Chem 177:4221–4227CrossRef Jing LQ, Wang BQ, Xin BF, Li SD, Shi KY, Cai WM, Fu HG (2004) Investigations on the surface modification of ZnO nanoparticle photocatalyst by depositing Pd. J Solid State Chem 177:4221–4227CrossRef
Zurück zum Zitat Keis K, Magnusson E, Lindstrom H, Lindquist SE, Hagfeldt A (2002) A 5% efficient photo electrochemical solar cell based on nanostructured ZnO electrodes. Sol Energy Mater Sol Cells 73:51–58CrossRef Keis K, Magnusson E, Lindstrom H, Lindquist SE, Hagfeldt A (2002) A 5% efficient photo electrochemical solar cell based on nanostructured ZnO electrodes. Sol Energy Mater Sol Cells 73:51–58CrossRef
Zurück zum Zitat Kong XH, Sun XM, Li XL, Li YD (2003) Catalytic growth of ZnO nanotubes. Mater Chem Phys 82:997–1001CrossRef Kong XH, Sun XM, Li XL, Li YD (2003) Catalytic growth of ZnO nanotubes. Mater Chem Phys 82:997–1001CrossRef
Zurück zum Zitat Kong T, Chen Y, Ye YP, Zhang K, Wang ZX, Wang XP (2009) An amperometric glucose biosensor based on the immobilization of glucose oxidase on the ZnO nanotubes. Sens Actuators B: Chem 138:344–350CrossRef Kong T, Chen Y, Ye YP, Zhang K, Wang ZX, Wang XP (2009) An amperometric glucose biosensor based on the immobilization of glucose oxidase on the ZnO nanotubes. Sens Actuators B: Chem 138:344–350CrossRef
Zurück zum Zitat Kulkarni AJ, Zhou M, Ke FJ (2005) Orientation and size dependence of the elastic properties of zinc oxide nanobelts. Nanotechnology 16:2749–2756CrossRef Kulkarni AJ, Zhou M, Ke FJ (2005) Orientation and size dependence of the elastic properties of zinc oxide nanobelts. Nanotechnology 16:2749–2756CrossRef
Zurück zum Zitat Liao L, Lu HB, Li JC, He H, Wang DF, Fu DJ, Liu C, Zhang WF (2007) Size dependence of gas sensitivity of ZnO nanorods. J Phys Chem C 111:1900–1903CrossRef Liao L, Lu HB, Li JC, He H, Wang DF, Fu DJ, Liu C, Zhang WF (2007) Size dependence of gas sensitivity of ZnO nanorods. J Phys Chem C 111:1900–1903CrossRef
Zurück zum Zitat Liu P, She GW, Liao ZL, Wang Y, Wang ZZ, Shi WS, Zhang XH, Lee ST, Chen DM (2009) Observation of persistent photoconductance in single ZnO nanotube. Appl Phys Lett 94:063120CrossRef Liu P, She GW, Liao ZL, Wang Y, Wang ZZ, Shi WS, Zhang XH, Lee ST, Chen DM (2009) Observation of persistent photoconductance in single ZnO nanotube. Appl Phys Lett 94:063120CrossRef
Zurück zum Zitat Mao Y, Zhong J, Chen Y (2008) First principles study of the band structure and dielectric function of (6,6) single-walled zinc oxide nanotube. Physica E 40:499–502CrossRef Mao Y, Zhong J, Chen Y (2008) First principles study of the band structure and dielectric function of (6,6) single-walled zinc oxide nanotube. Physica E 40:499–502CrossRef
Zurück zum Zitat Moon W, Hwang H (2008) Atomistic study of structures and elastic properties of single crystalline ZnO nanotubes. Nanotechnology 19:225703CrossRef Moon W, Hwang H (2008) Atomistic study of structures and elastic properties of single crystalline ZnO nanotubes. Nanotechnology 19:225703CrossRef
Zurück zum Zitat Nardelli MB, Yakobson BI, Bernholc J (1998a) Brittle and ductile behavior in carbon nanotubes. Phys Rev Lett 81:4656CrossRef Nardelli MB, Yakobson BI, Bernholc J (1998a) Brittle and ductile behavior in carbon nanotubes. Phys Rev Lett 81:4656CrossRef
Zurück zum Zitat Nardelli MB, Yakobson BI, Bernholc J (1998b) Mechanism of strain release in carbon nanotubes. Phys Rev B 57:R4277CrossRef Nardelli MB, Yakobson BI, Bernholc J (1998b) Mechanism of strain release in carbon nanotubes. Phys Rev B 57:R4277CrossRef
Zurück zum Zitat Niemegeers A, Burgelman M (1997) Effects of the Au/CdTe back contact on IV and CV characteristics of Au/CdTe/CdS/TCO solar cells. J Appl Phys 81:2881–2886CrossRef Niemegeers A, Burgelman M (1997) Effects of the Au/CdTe back contact on IV and CV characteristics of Au/CdTe/CdS/TCO solar cells. J Appl Phys 81:2881–2886CrossRef
Zurück zum Zitat Nosé S (1984) A unified formulation of the constant temperature molecular dynamics methods. J Chem Phys 81:511CrossRef Nosé S (1984) A unified formulation of the constant temperature molecular dynamics methods. J Chem Phys 81:511CrossRef
Zurück zum Zitat Qin Y, Wang XD, Wang ZL (2008) Microfibre-nanowire hybrid structure for energy scavenging. Nature 451:809–813CrossRef Qin Y, Wang XD, Wang ZL (2008) Microfibre-nanowire hybrid structure for energy scavenging. Nature 451:809–813CrossRef
Zurück zum Zitat Rao BB (2000) Zinc oxide ceramic semi-conductor gas sensor for ethanol vapour. Mater Chem Phys 64:62–65CrossRef Rao BB (2000) Zinc oxide ceramic semi-conductor gas sensor for ethanol vapour. Mater Chem Phys 64:62–65CrossRef
Zurück zum Zitat Raymand D, Duin ACTv, Baudin M, Hermannson K (2008) A reactive force field (ReaxFF) for zinc oxide. Surf Sci 602:1020–1031CrossRef Raymand D, Duin ACTv, Baudin M, Hermannson K (2008) A reactive force field (ReaxFF) for zinc oxide. Surf Sci 602:1020–1031CrossRef
Zurück zum Zitat Rodriguez JA, Jirsak T, Dvorak J, Sambasivan S, Fischer D (2000) Reaction of NO2 with Zn and ZnO: photoemission, XANES, and density functional studies on the formation of NO3. J Phys Chem B 104:319–328CrossRef Rodriguez JA, Jirsak T, Dvorak J, Sambasivan S, Fischer D (2000) Reaction of NO2 with Zn and ZnO: photoemission, XANES, and density functional studies on the formation of NO3. J Phys Chem B 104:319–328CrossRef
Zurück zum Zitat Sberveglieri G, Groppelli S, Nelli P, Tintinelli A, Giunta G (1995) A novel method for the preparation of NH3 sensors based on ZnO-In thin-films. Sens Actuators B: Chem 25:588–590CrossRef Sberveglieri G, Groppelli S, Nelli P, Tintinelli A, Giunta G (1995) A novel method for the preparation of NH3 sensors based on ZnO-In thin-films. Sens Actuators B: Chem 25:588–590CrossRef
Zurück zum Zitat Sebastian PJ, Ocampo M (1996) A photodetector based on ZnCdS nanoparticles in a CdS matrix formed by screen printing and sintering of CdS and ZnCl2. Sol Energy Mater Sol Cells 44:1–10CrossRef Sebastian PJ, Ocampo M (1996) A photodetector based on ZnCdS nanoparticles in a CdS matrix formed by screen printing and sintering of CdS and ZnCl2. Sol Energy Mater Sol Cells 44:1–10CrossRef
Zurück zum Zitat Sun XW, Chu YD, Song T, Liu ZJ, Zhang L, Wang XG, Liu YX, Chen QF (2007) Application of a shell model in molecular dynamics simulation to ZnO with zinc-blende cubic structure. Solid State Commun 142:15–19CrossRef Sun XW, Chu YD, Song T, Liu ZJ, Zhang L, Wang XG, Liu YX, Chen QF (2007) Application of a shell model in molecular dynamics simulation to ZnO with zinc-blende cubic structure. Solid State Commun 142:15–19CrossRef
Zurück zum Zitat Tien LC, Sadik PW, Norton DP, Voss LF, Pearton SJ, Wang HT, Kang BS, Ren F, Jun J, Lin J (2005) Hydrogen sensing at room temperature with Pt-coated ZnO thin films and nanorods. Appl Phys Lett 87:3 Tien LC, Sadik PW, Norton DP, Voss LF, Pearton SJ, Wang HT, Kang BS, Ren F, Jun J, Lin J (2005) Hydrogen sensing at room temperature with Pt-coated ZnO thin films and nanorods. Appl Phys Lett 87:3
Zurück zum Zitat Touskova J, Kindl D, Tousek J (1997) Preparation and characterization of CdS/CdTe thin film solar cells. Thin Solid Films 293:272–276CrossRef Touskova J, Kindl D, Tousek J (1997) Preparation and characterization of CdS/CdTe thin film solar cells. Thin Solid Films 293:272–276CrossRef
Zurück zum Zitat Wang ZL, Song JH (2006) Piezoelectric nanogenerators based on zinc oxide nanowire arrays. Science 312:242–246CrossRef Wang ZL, Song JH (2006) Piezoelectric nanogenerators based on zinc oxide nanowire arrays. Science 312:242–246CrossRef
Zurück zum Zitat Wang RM, Xing YJ, Xu J, Yu DP (2003) Fabrication and microstructure analysis on zinc oxide nanotubes. New J Phys 5:115CrossRef Wang RM, Xing YJ, Xu J, Yu DP (2003) Fabrication and microstructure analysis on zinc oxide nanotubes. New J Phys 5:115CrossRef
Zurück zum Zitat Wang B, Nagase S, Zhao J, Wang G (2007) The stability and electronic structure of single-walled ZnO nanotubes by density functional theory. Nanotechnology 18:6 Wang B, Nagase S, Zhao J, Wang G (2007) The stability and electronic structure of single-walled ZnO nanotubes by density functional theory. Nanotechnology 18:6
Zurück zum Zitat Weng MH, Ju SP, Wu WS (2009) The collective motion of carbon atoms in a (10,10) single wall carbon nanotube under axial tensile strain. J Appl Phys 106:063504CrossRef Weng MH, Ju SP, Wu WS (2009) The collective motion of carbon atoms in a (10,10) single wall carbon nanotube under axial tensile strain. J Appl Phys 106:063504CrossRef
Zurück zum Zitat Xu JQ, Pan QY, Shun YA, Tian ZZ (2000) Grain size control and gas sensing properties of ZnO gas sensor. Sens Actuators B Chem 66:277–279CrossRef Xu JQ, Pan QY, Shun YA, Tian ZZ (2000) Grain size control and gas sensing properties of ZnO gas sensor. Sens Actuators B Chem 66:277–279CrossRef
Zurück zum Zitat Xu H, Zhang RQ, Zhang XH, Rosa AL, Frauenheim T (2007) Structural and electronic properties of ZnO nanotubes from density functional calculations. Nanotechnology 18:6 Xu H, Zhang RQ, Zhang XH, Rosa AL, Frauenheim T (2007) Structural and electronic properties of ZnO nanotubes from density functional calculations. Nanotechnology 18:6
Zurück zum Zitat Yakobson BI (1998) Mechanical relaxation and “intramolecular plasticity” in carbon nanotubes. Appl Phys Lett 72:918CrossRef Yakobson BI (1998) Mechanical relaxation and “intramolecular plasticity” in carbon nanotubes. Appl Phys Lett 72:918CrossRef
Zurück zum Zitat Yuan PF, Ding ZJ, Ju X (2008) Theoretical study on structural and elastic properties of ZnO nanotubes. Chin Phys Lett 25:1030–1033CrossRef Yuan PF, Ding ZJ, Ju X (2008) Theoretical study on structural and elastic properties of ZnO nanotubes. Chin Phys Lett 25:1030–1033CrossRef
Zurück zum Zitat Zhang Y, Huang H (2008) Stability of single-wall silicon carbide nanotubes—molecular dynamics simulations. Comput Mater Sci 43:664CrossRef Zhang Y, Huang H (2008) Stability of single-wall silicon carbide nanotubes—molecular dynamics simulations. Comput Mater Sci 43:664CrossRef
Zurück zum Zitat Zhou Z, Li Y, Liu L, Chen Y, Zhang SB, Chen Z (2008) Size- and surface-dependent stability, electronic properties, and potential as chemical sensors: computational studies on one-dimensional ZnO nanostructures. J Phys Chem C 112:13926–13931CrossRef Zhou Z, Li Y, Liu L, Chen Y, Zhang SB, Chen Z (2008) Size- and surface-dependent stability, electronic properties, and potential as chemical sensors: computational studies on one-dimensional ZnO nanostructures. J Phys Chem C 112:13926–13931CrossRef
Zurück zum Zitat Zhu ZG, Chutia A, Sahnoun R, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Kubo M, Del Carpio CA, Miyamoto A (2008) Theoretical study on electronic and electrical properties of nanostructural ZnO. Jpn J Appl Phys 47:2999–3006CrossRef Zhu ZG, Chutia A, Sahnoun R, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Kubo M, Del Carpio CA, Miyamoto A (2008) Theoretical study on electronic and electrical properties of nanostructural ZnO. Jpn J Appl Phys 47:2999–3006CrossRef
Metadaten
Titel
Mechanism of local stress release in armchair single-wall zinc oxide nanotube under tensile loading
Publikationsdatum
01.10.2011
Erschienen in
Journal of Nanoparticle Research / Ausgabe 10/2011
Print ISSN: 1388-0764
Elektronische ISSN: 1572-896X
DOI
https://doi.org/10.1007/s11051-011-0445-5

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