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Volumn , Issue , 2005, Pages 85-120

Molecular dynamics simulations of a molecular electronics device: The nanocell

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EID: 26444478571     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1142/9789812701305_0003     Document Type: Chapter
Times cited : (9)

References (46)
  • 1
    • 2342661368 scopus 로고    scopus 로고
    • An ab initio approach to the calculation of current-voltage characteristics of programmable molecular devices
    • Seminario, J. M.; Cordova, L. E.; Derosa, P. A., “An ab initio approach to the calculation of current-voltage characteristics of programmable molecular devices, " Proc. IEEE, vol. 91, pp. 1958-1975, 2003.
    • (2003) Proc. IEEE , vol.91 , pp. 1958-1975
    • Seminario, J.M.1    Cordova, L.E.2    Derosa, P.A.3
  • 2
    • 0032569172 scopus 로고    scopus 로고
    • Molecular Scale Electronics: A Synthetic/Computational Approach to Digital Computing
    • Tour, J. M.; Kosaki, M.; Seminario, J. M., “Molecular Scale Electronics: A Synthetic/Computational Approach to Digital Computing, " J. Am. Chem. Soc, vol. 120, pp. 8486-8493, 1998.
    • (1998) J. Am. Chem. Soc , vol.120 , pp. 8486-8493
    • Tour, J.M.1    Kosaki, M.2    Seminario, J.M.3
  • 3
    • 0034156757 scopus 로고    scopus 로고
    • Architectures for Molecular Electronic Computers: 1. Logic Structures and an Adder Designed from Molecular Electronic Diodes
    • Ellenbogen, J. C.; Love, J. C., “Architectures for Molecular Electronic Computers: 1. Logic Structures and an Adder Designed from Molecular Electronic Diodes, " Proc. IEEE, vol. 88, pp. 386-426, 2000.
    • (2000) Proc. IEEE , vol.88 , pp. 386-426
    • Ellenbogen, J.C.1    Love, J.C.2
  • 4
    • 0034735798 scopus 로고    scopus 로고
    • Electronics Using Hybrid-Molecular and Mono-Molecular Devices
    • Joachin, C; Gimzewski, J. K.; Aviram, A., “Electronics Using Hybrid-Molecular and Mono-Molecular Devices, " Nature, vol. 408, pp. 541-548, 2000.
    • (2000) Nature , vol.408 , pp. 541-548
    • Joachin, C.1    Gimzewski, J.K.2    Aviram, A.3
  • 5
    • 4043103555 scopus 로고    scopus 로고
    • Moletronics: Future Electronics
    • Kwok, K. S.; Ellenbogen, J. C., “Moletronics: Future Electronics, " Mater. Today, vol. 5, pp. 28-37, 2002.
    • (2002) Mater. Today , vol.5 , pp. 28-37
    • Kwok, K.S.1    Ellenbogen, J.C.2
  • 7
    • 0036541342 scopus 로고    scopus 로고
    • Bonding more atoms together for a single molecule computer
    • Joachim, C., “Bonding more atoms together for a single molecule computer, " Nanotechnology, vol. 13, pp. R1-R7, 2002.
    • (2002) Nanotechnology , vol.13 , pp. R1-R7
    • Joachim, C.1
  • 8
    • 84949217203 scopus 로고    scopus 로고
    • Toward Multiple-Valued Configurable Random Molecular Logic Units
    • Seminario, J. M.; Cordova, L. E., “Toward Multiple-Valued Configurable Random Molecular Logic Units, " Proc. IEEE Nanotechnology Conf, vol. 1, pp. 146-150, 2001.
    • (2001) Proc. IEEE Nanotechnology Conf , vol.1 , pp. 146-150
    • Seminario, J.M.1    Cordova, L.E.2
  • 10
    • 0033584805 scopus 로고    scopus 로고
    • Large On-Off Ratio and Negative Differential Resistance in a Molecular Electronic Device
    • Chen, J.; Reed, M. A.; Rawlett, A. M.; Tour, J. M., “Large On-Off Ratio and Negative Differential Resistance in a Molecular Electronic Device, " Science, vol. 286, pp. 1550-1552, 1999.
    • (1999) Science , vol.286 , pp. 1550-1552
    • Chen, J.1    Reed, M.A.2    Rawlett, A.M.3    Tour, J.M.4
  • 13
    • 0042076872 scopus 로고
    • Self-Assembled Monolayers and Multilayers of Conjugated Thiols, a, w-Dithiols, and Thioacetyl-Containing Adsorbates. Understanding Attachments Between Potential Molecular Wires and Gold Surfaces
    • Tour, J. M.; Jones, L., II; Pearson, D. L.; Lamba, J. S.; Burgin, T.; Whitesides, G. W.; Allara, D. L.; Parikh, A. N.; Atre, S., “Self-Assembled Monolayers and Multilayers of Conjugated Thiols, a, w-Dithiols, and Thioacetyl-Containing Adsorbates. Understanding Attachments Between Potential Molecular Wires and Gold Surfaces, " J. Am. Chem. Soc, vol. 117, pp. 9529-9534., 1995.
    • (1995) J. Am. Chem. Soc , vol.117 , pp. 9529-9534
    • Tour, J.M.1    Jones, L.2    Pearson, D.L.3    Lamba, J.S.4    Burgin, T.5    Whitesides, G.W.6    Allara, D.L.7    Parikh, A.N.8    Atre, S.9
  • 14
    • 0001425086 scopus 로고    scopus 로고
    • Limits of Lithography
    • Harriott, L. R., “Limits of Lithography, " Proc. IEEE, vol. 89, pp. 366-374, 2001.
    • (2001) Proc. IEEE , vol.89 , pp. 366-374
    • Harriott, L.R.1
  • 15
    • 0347298068 scopus 로고
    • Towards a New Biochemistry
    • Szent-Gyorgyi, A., “Towards a New Biochemistry, " Science, vol. 93, pp. 609-611, 1941.
    • (1941) Science , vol.93 , pp. 609-611
    • Szent-Gyorgyi, A.1
  • 16
    • 0037154335 scopus 로고    scopus 로고
    • Analysis of a dinitrc-based molecular device
    • Seminario, J. M.; Zacarias, A. G.; Derosa, P. A., “Analysis of a dinitrc-based molecular device, " J. Chem. Phys., vol. 116, pp. 1671-1683, 2002.
    • (2002) J. Chem. Phys , vol.116 , pp. 1671-1683
    • Seminario, J.M.1    Zacarias, A.G.2    Derosa, P.A.3
  • 17
    • 0000008312 scopus 로고    scopus 로고
    • Room-Temperature Negative Differential Resistance in Nanoscale Molecular Junctions
    • Chen, J.; Wang, W.; Reed, M. A.; Rawlett, A. M.; Price, D. W.; Tour, J. M., “Room-Temperature Negative Differential Resistance in Nanoscale Molecular Junctions, " Appl. Phys. Lett., vol. 77, pp. 1224-1226, 2000.
    • (2000) Appl. Phys. Lett , vol.77 , pp. 1224-1226
    • Chen, J.1    Wang, W.2    Reed, M.A.3    Rawlett, A.M.4    Price, D.W.5    Tour, J.M.6
  • 18
    • 0003977897 scopus 로고    scopus 로고
    • San Diego: Molecular Simulations, Inc
    • Molecular Simulations Inc., User Guide. San Diego: Molecular Simulations, Inc, 1997.
    • (1997) User Guide
  • 19
    • 85115916996 scopus 로고    scopus 로고
    • San Diego
    • Molecular Simulations Inc., “Cerius2.” San Diego, 1999.
    • (1999) Cerius2
  • 21
    • 0042041206 scopus 로고
    • UFF, a Full periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations
    • Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard III, W. A.; Skiff, W. M., “UFF, a Full periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations, " J. Am. Chem. Soc, vol. 114, pp. 10024-10035, 1992.
    • (1992) J. Am. Chem. Soc , vol.114 , pp. 10024-10035
    • Rappé, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Goddard, W.A.4    Skiff, W.M.5
  • 22
    • 0000798755 scopus 로고
    • Application of a Universal Force-Field to Organic Molecules
    • Casewit, C. J.; Colwell, K. S.; Rappé, A. K., “Application of a Universal Force-Field to Organic Molecules, " J. Am. Chem. Soc., vol. 114, pp. 10035-10046, 1992.
    • (1992) J. Am. Chem. Soc , vol.114 , pp. 10035-10046
    • Casewit, C.J.1    Colwell, K.S.2    Rappé, A.K.3
  • 23
    • 0039968228 scopus 로고
    • Application of a Universal Force-Field to Main Group Compounds
    • Casewit, C. J.; Colwell, K. S.; Rappé, A. K., “Application of a Universal Force-Field to Main Group Compounds, " J. Am. Chem. Soc, vol. 114, pp. 10046-10053, 1992.
    • (1992) J. Am. Chem. Soc , vol.114 , pp. 10046-10053
    • Casewit, C.J.1    Colwell, K.S.2    Rappé, A.K.3
  • 24
    • 4243992753 scopus 로고
    • Application of a Universal Force-Field to Metal-Complexes
    • Casewit, C. J.; Colwell, K. S.; Rappé, A. K., “Application of a Universal Force-Field to Metal-Complexes, " Inorg. Chem, vol. 32, pp. 3438-3450, 1993.
    • (1993) Inorg. Chem , vol.32 , pp. 3438-3450
    • Casewit, C.J.1    Colwell, K.S.2    Rappé, A.K.3
  • 25
    • 85115924880 scopus 로고    scopus 로고
    • Diss. ETH No, ETH, URL, Zürich
    • Senn, H. M., “Ph.D. thesis, Diss. ETH No. 13972, ETH, URL: http://e-collection.ethbib.eth2.ch/show?type=diss&nr=13972.” Zürich, 2001.
    • (2001) Ph.D. thesis , pp. 13972
    • Senn, H.M.1
  • 26
    • 84898889606 scopus 로고
    • Long-Range Finnis Sinclair Potentials
    • Sutton, A. P.; Chen, J., “Long-Range Finnis Sinclair Potentials, " Phil. Mag. Lett., vol. 61, pp. 139-146, 1990.
    • (1990) Phil. Mag. Lett , vol.61 , pp. 139-146
    • Sutton, A.P.1    Chen, J.2
  • 27
    • 0029293884 scopus 로고
    • Simulation study of platinum adsorption on graphite using the Sutton-Chen potential
    • Liem, S. Y.; Chan, K., “Simulation study of platinum adsorption on graphite using the Sutton-Chen potential, " Surface Science, vol. 328, pp. 119-128, 1995.
    • (1995) Surface Science , vol.328 , pp. 119-128
    • Liem, S.Y.1    Chan, K.2
  • 28
    • 0003998388 scopus 로고    scopus 로고
    • CRC Handbook of Chemistry and Physics
    • Boca Raton: CRC Press
    • Lide, D. R., “CRC Handbook of Chemistry and Physics, " vol. 79th Edition 1998-1999. Boca Raton: CRC Press, 1998.
    • (1998) 79th Edition 1998-1999
    • Lide, D.R.1
  • 30
    • 0347611493 scopus 로고    scopus 로고
    • Application of Density Functional Theory to the Study and Design of Molecular Electronic Devices: The Metal-Molecule Interface
    • Sen, K. D., Ed. Singapore: World Scientific
    • Derosa, P. A.; Zacarias, A. C; Seminario, J. M., “Application of Density Functional Theory to the Study and Design of Molecular Electronic Devices: The Metal-Molecule Interface, " in Reviews in modern quantum chemistry, Sen, K. D., Ed. Singapore: World Scientific, 2002, pp. 1537-1567.
    • (2002) Reviews in modern quantum chemistry , pp. 1537-1567
    • Derosa, P.A.1    Zacarias, A.C.2    Seminario, J.M.3
  • 31
    • 0037154335 scopus 로고    scopus 로고
    • Analysis of a Dinitro-Based Molecular Device
    • Seminario, J. M.; Zacarias, A. G.; Derosa, P. A., “Analysis of a Dinitro-Based Molecular Device, " J. Chem. Phys., vol. 116, pp. 1671-1683, 2002.
    • (2002) J. Chem. Phys , vol.116 , pp. 1671-1683
    • Seminario, J.M.1    Zacarias, A.G.2    Derosa, P.A.3
  • 32
    • 0034837070 scopus 로고    scopus 로고
    • A Theoretical Analysis of Metal-Molecule Contacts
    • Seminario, J. M.; De La Cruz, C. E.; Derosa, P. A., “A Theoretical Analysis of Metal-Molecule Contacts, " J. Am. Chem. Soc, vol. 123, pp. 5616-5617, 2001.
    • (2001) J. Am. Chem. Soc , vol.123 , pp. 5616-5617
    • Seminario, J.M.1    De La Cruz, C.E.2    Derosa, P.A.3
  • 33
    • 0035135946 scopus 로고    scopus 로고
    • Electron transport through single molecules: Scattering treatment using density functional and green function theories
    • Derosa, P. A.; Seminario, J. M., “Electron transport through single molecules: Scattering treatment using density functional and green function theories, " Journal of Physical Chemistry B, vol. 105, pp. 471-481, 2001.
    • (2001) Journal of Physical Chemistry B , vol.105 , pp. 471-481
    • Derosa, P.A.1    Seminario, J.M.2
  • 34
    • 0034837070 scopus 로고    scopus 로고
    • A Theoretical Analysis of Metal-Molecule Contacts
    • Seminario, J. M.; De La Cruz, C. E.; Derosa, P. A., “A Theoretical Analysis of Metal-Molecule Contacts, " J. Am. Chem. Soc, vol. 123, pp. 5616-5617, 2001.
    • (2001) J. Am. Chem. Soc , vol.123 , pp. 5616-5617
    • Seminario, J.M.1    De La Cruz, C.E.2    Derosa, P.A.3
  • 35
    • 0345979435 scopus 로고    scopus 로고
    • Formation and Structure of Self-Assembled Monolayers
    • Ulman, A., “Formation and Structure of Self-Assembled Monolayers, " Chem. Rev., vol. 96, pp. 1533-1554, 1996.
    • (1996) Chem. Rev , vol.96 , pp. 1533-1554
    • Ulman, A.1
  • 36
    • 0035954970 scopus 로고    scopus 로고
    • Odd-Even Effects at the S-Metal Interface and in the Aromatic Matrix of Biphenyl-Substituted Alkanethiol Self-Assembled Monolayers
    • Heister, K.; Rong, H.-T.; Buck, M.; Zharnikov, M.; Grunze, M., “Odd-Even Effects at the S-Metal Interface and in the Aromatic Matrix of Biphenyl-Substituted Alkanethiol Self-Assembled Monolayers, " J. Phys. Chem. B, vol. 105, pp. 6888-6894, 2001.
    • (2001) J. Phys. Chem. B , vol.105 , pp. 6888-6894
    • Heister, K.1    Rong, H.-T.2    Buck, M.3    Zharnikov, M.4    Grunze, M.5
  • 37
    • 0033200218 scopus 로고    scopus 로고
    • Electrical Breakdown of Aliphatic and Aromatic Self-Assembled Monolayers Used as Nanometer-Thick Organic Dielectrics
    • Haag, R.; Rampi, M. A.; Holmlin, R. E.; Whitesides, G. M., ".Electrical Breakdown of Aliphatic and Aromatic Self-Assembled Monolayers Used as Nanometer-Thick Organic Dielectrics, " J. Am. Chem. Soc, vol. 121, pp. 7895-7906, 1999.
    • (1999) J. Am. Chem. Soc , vol.121 , pp. 7895-7906
    • Haag, R.1    Rampi, M.A.2    Holmlin, R.E.3    Whitesides, G.M.4
  • 38
    • 22844439791 scopus 로고    scopus 로고
    • Vibrational Study of a Molecular Device using Molecular Dynamics Simulations
    • Seminario, J. M.; Derosa, P. A.; Bozard, B. H.; Chagarlamudi, K., “Vibrational Study of a Molecular Device using Molecular Dynamics Simulations, " J. Nanoscience Nanotech, vol. 5, pp. 1-11, 2005.
    • (2005) J. Nanoscience Nanotech , vol.5 , pp. 1-11
    • Seminario, J.M.1    Derosa, P.A.2    Bozard, B.H.3    Chagarlamudi, K.4
  • 39
    • 0035370516 scopus 로고    scopus 로고
    • The study of flame retardants on thermal degradation and charring process of manchurian ash iignin in the condensed phase
    • Li, J.; Li, B.; Zhang, X. C; Su, R. Z., “The study of flame retardants on thermal degradation and charring process of manchurian ash iignin in the condensed phase, " Polymer Degradation and Stability, vol. 72, pp. 493-498, 2001.
    • (2001) Polymer Degradation and Stability , vol.72 , pp. 493-498
    • Li, J.1    Li, B.2    Zhang, X.C.3    Su, R.Z.4
  • 40
    • 85115925038 scopus 로고    scopus 로고
    • “http://www.chem.csustan.edu/Tutorials/lNFRARED.HTM.” 1998.
    • (1998)
  • 42
    • 23044447521 scopus 로고    scopus 로고
    • The synthesis and characteristics of soluble PAES/PEES copolymers for heat resistant ion exchange membrane
    • Kang, Y. U.; Hwang, T. S.; Song, H. Y.; Son, W. K.; Park, J. K., “The synthesis and characteristics of soluble PAES/PEES copolymers for heat resistant ion exchange membrane, " Polymer-Korea, vol. 23, pp. 1-7, 1999.
    • (1999) Polymer-Korea , vol.23 , pp. 1-7
    • Kang, Y.U.1    Hwang, T.S.2    Song, H.Y.3    Son, W.K.4    Park, J.K.5
  • 43
    • 0031186571 scopus 로고    scopus 로고
    • Conformational change restricted selectivity in the surface sulfonation of polypropylene with sulfuric acid
    • Tada, H.; Ito, S., “Conformational change restricted selectivity in the surface sulfonation of polypropylene with sulfuric acid, " Langmuir, vol. 13, pp. 3982-3989, 1997.
    • (1997) Langmuir , vol.13 , pp. 3982-3989
    • Tada, H.1    Ito, S.2
  • 44
    • 0033599117 scopus 로고    scopus 로고
    • Scaling Factors for the Prediction of the Frequencies of the Ring Modes in Benzene Derivatives
    • Alcolea, M., “Scaling Factors for the Prediction of the Frequencies of the Ring Modes in Benzene Derivatives, " J. Phys. Chem. A, vol. 103, pp. 11366-11377, 1999.
    • (1999) J. Phys. Chem. A , vol.103 , pp. 11366-11377
    • Alcolea, M.1


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