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2008We are currently collecting the 2008 publications for inclusion here. If you have made a publication with ATK, please assist us in making this list as complete as possible by submitting the full reference (see below for the proper format) to info@quantumwise.com This e-mail address is being protected from spambots. You need JavaScript enabled to view it . Y. Okuno and S. Yokoyama, Theoretical study of molecular rectification in porphyrin dimer, Thin Solid Films, 516, 2630-2634 (2008). Abstract Y. Girard, T. Yamamoto, and K. Watanabe, Spin-Dependent Electron Transport Induced by Non-Magnetic Adatoms in Metallic Carbon Nanotubes, e-J, surf. Sci. Nanotech. 6, 157 (2008). Abstract Y. Girard, T. Yamamoto, and K. Watanabe, Current-induced forces in conducting and semiconducting carbon nanotubes, J. Phys.: Conf. Ser 100, 052063 (2008). Abstract H. Mizuseki, R.V. Belosludov, T. Uehara, S.U. Lee, and Y. Kawazoe, Transport Properties of Nanoscale Materials for Molecular Wire Applications: A Case Study of Ferrocene Dimers, J. Korean Phys. Soc 52, 1197-1201 (2008). M. Khazaei, S.U. Lee, F Pichierri, and Y. Kawazoe, Designing Nanogadgets by Interconnecting Carbon Nanotubes with Zinc Layers, ACS Nano 2, 939-943 (2008). Abstract S.U. Lee, M. Khazaei, F. Pichierri, and Y. Kawazoe, Electron transport through carbon nanotube in intramolecular heterojunctions with peptide linkages, Phys. Chem. Chem. Phys. 10, 5225-5231 (2008). Abstract M. Mine, T. Tsutsui, and E. Miyoshi, Theoretical Study on the Conductance of Benzene Clusters in the Pi-stack Direction, Jpn. J. Applied Phys. 47, 8033-8038 (2008). Abstract Z. Wang, T. Gu, T. Tada, and S. Watanabe, Excess-silver-induced brigde formation in a silver sulfide atomic switch, Appl. Phys. Lett. 93, 152106 (2008). Abstract T. Kamiya, K. Tajima, K. Nomura, H. Yanagi, and H. Hosono, Interface electronic structures of zinc oxide and metals: First-principle study, Phys. Stat. Sol. (a) 205, 1929-1933 (2008). Abstract 2007P. Bai, E. P. Li, E. A. Ong, P. Collier, and K. P. Loh, Atomic study of molecular wires composed of thiophene oligomers, physica status solidi (a) 204, 1876-1881 (2007). Abstract R. Cohen, K. Stokbro, J. Martin, and M. Ratner, Charge transport in conjugated aromatic molecular junctions: Molecular conjugation and molecule-electrode coupling, Journal of Physical Chemistry C 111, 14893-14902 (2007). Abstract Z. X. Dai, X. Q. Shi, X. H. Zheng, X. L. Wang, and Z. Zeng, Ab initio investigations of the transport properties of a Ge_7 cluster, Physical Review B 75, 155402 (2007). Abstract B. Das, S. Abe, Y. Naitoh, M. Horikawa, T. Yatabe, Y. Suzuki, T. Funaki, S. Tsuzuki, and Y. Kawanishi, Modeling and testing of molecular wire sensors to detect a nucleic acid base, Journal of Physical Chemistry C 111, 3495-3504 (2007). Abstract Y. Girard, T. Yamamoto, and K. Watanabe, Quantum-Chemical Interpretation of Current-Induced Forces on Adatoms on Carbon Nanotubes, Journal of Physical Chemistry C 111, 12478-12482 (2007). Abstract R. C. Hoft, M. J. Ford, and M. B. Cortie, The effect of reciprocal-space sampling and basis set quality on the calculated conductance of a molecular junction, Molecular Simulation 33, 897-904 (2007). Abstract R. C. Hoft, N. Armstrong, M. J. Ford, and M. B. Cortie, Ab initio and empirical studies on the asymmetry of molecular current-voltage characteristics, Journal of Physics: Condensed Matter 19, 215206 (2007). Abstract J. Huang, Q. Li, H. Ren, H. Su, Q. W. Shi, and J. Yang, Switching mechanism of photochromic diarylethene derivatives molecular junctions, Journal of Chemical Physics 127, 094705-6 (2007). Abstract M. Khazaei, S. Lee, F. Pichierri, and Y. Kawazoe, Computational Design of a Rectifying Diode Made by Interconnecting Carbon Nanotubes with Peptide Linkages, Journal of Physical Chemistry C 111, 12175-12180 (2007). Abstract W. Y. Kim, S. K. Kwon, and K. S. Kim, Negative differential resistance of carbon nanotube electrodes with asymmetric coupling phenomena, Physical Review B 76, 033415 (2007). Abstract X. Li, K. Chen, L. Wang, M. Long, B. S. Zou, and Z. Shuai, Effect of intertube interaction on the transport properties of a carbon double-nanotube device, Journal of Applied Physics 101, 064514 (2007). Abstract X. Li, K. Chen, L. Wang, M. Long, B. Zou, and Z. Shuai, Effect of length and size of heterojunction on the transport properties of carbon-nanotube devices, Applied Physics Letters 91, 133511 (2007). Abstract Y. Li, J. Zhao, X. Yin, H. Liu, and G. Yin, Conformational analysis of diphenylacetylene under the influence of an external electric field, Physical Chemistry Chemical Physics 9, 1186-1193 (2007). Abstract Z. Li and D. S. Kosov, Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations, Physical Review B 76, 035415 (2007). Abstract M. Q. Long, L. L. Wang, K. Q. Chen, X. F. Li, B. S. Zou, and Z. Shuai, Coupling effect on the electronic transport through dimolecular junctions, Physics Letters A 365, 489-494 (2007). Abstract M. F. Ng, L. Zhou, S. W. Yang, L. Y. Sim, V. B. C. Tan, and P. Wu, Theoretical investigation of silicon nanowires: Methodology, geometry, surface modification, and electrical conductivity using a multiscale approach, Physical Review B 76, 155435 (2007). Abstract F. Ouyang and H. Xu, Ab initio study of transport properties of an all-carbon molecular switch based on C_20 molecule, Frontiers of Physics in China 2, 36-40 (2007). Abstract F. Ouyang and H. Xu, Design and First-principles Study of a Fullerene Molecular Device, Chinese Physics Letters 24, 2369-2372 (2007). Abstract F. OuYang, H. Xu, and T. Fan, All-carbon nanoswitch based on C_70 molecule: A first principles study, Journal of Applied Physics 102, 064501 (2007). Abstract H. Ren, Q. Li, Q. Shi, and J. Yang, Quantum dot based on Z-shaped graphene nanoribbon: First-principles study, Chinese Journal of Chemical Physics 20, 489-494 (2007). Abstract X. Q. Shi, Z. X. Dai, G. H. Zhong, X. H. Zheng, and Z. Zeng, Spin-polarized transport in carbon nanowires inside semiconducting carbon nanotubes, Journal Of Physical Chemistry C 111, 10130-10134 (2007). Abstract A. Staykov, D. Nozaki, and K. Yoshizawa, Photoswitching of Conductivity through a Diarylperfluorocyclopentene Nanowire, Journal of Physical Chemistry C 111, 3517-3521 (2007). Abstract A. Staykov, D. Nozaki, and K. Yoshizawa, Theoretical study of donor-pi-bridge-acceptor unimolecular electric rectifier, Journal of Physical Chemistry C 111, 11698-11705 (2007). Abstract M. Stilling, K. Stokbro, and K. Flensberg, Electronic transport in crystalline magnetotunnel junctions: effects of structural disorder, Journal of Computer-Aided Materials Design 14, 141-149 (2007). Abstract M. Stilling, K. Stokbro, and K. Flensberg, Crystalline Magnetotunnel Junctions: Fe-MgO-Fe, Fe-FeOMgO-Fe And Fe-AuMgOAu-Fe, Molecular Simulation 33, 557-561 (2007). Abstract Z. Wang, T. Kadohira, T. Tada, and S. Watanabe, Nonequilibrium Quantum Transport Properties of a Silver Atomic Switch, Nano Letters 7, 2688-2692 (2007). Abstract Y. Xu, X. Shi, Z. Zeng, Z. Y. Zeng, and B. Li, Conductance oscillation and quantization in monatomic Al wires, Journal of Physics: Condensed Matter 19, 056010 (2007). Abstract T. Yamamoto, Y. Nakazawa, and K. Watanabe, Control of electron- and phonon-derived thermal conductances in carbon nanotubes, New Journal of Physics 9, 245 (2007). Abstract Q. Yan, B. Huang, J. Yu, F. Zheng, J. Zang, J. Wu, B. Gu, F. Liu, and W. Duan, Intrinsic Current-Voltage Characteristics of Graphene Nanoribbon Transistors and Effect of Edge Doping, Nano Letters 7, 1469-1473 (2007). Abstract 2006D. Q. Andrews, R. Cohen, R. P. Van Duyne, and M. A. Ratner, Single molecule electron transport junctions: Charging and geometric effects on conductance, Journal of Chemical Physics 125, 174718 (2006). Abstract P. Bai, C. Chong, E. Li, and Z. Chen, A molecular diode based on conjugated co-oligomers, International Journal of Nanoscience 5, 535-540 (2006). Abstract D. Cheng, W. Y. Kim, S. K. Min, T. Nautiyal, and K. S. Kim, Magic Structures and Quantum Conductance of [110] Silver Nanowires, Physical Review Letters 96, 096104 (2006). Abstract Z. X. Dai, X. Q. Shi, X. H. Zheng, and Z. Zeng, Effect of gating on the transport properties of a Si_4 cluster, Physical Review B 73, 045411 (2006). Abstract B. Das and S. Abe, Designing cyclophane-based molecular wire sensors, Journal of Physical Chemistry B 110, 23806-23811 (2006). Abstract R. Hoft, M. Ford, and M. Cortie, Prediction of increased tunneling current by bond length stretch in molecular break junctions, Chemical Physics Letters 429, 503-506 (2006). Abstract J. Huang, Q. Li, H. Ren, H. Su, and J. Yang, Single quintuple bond [PhCrCrPh] molecule as a possible molecular switch, Journal of Chemical Physics 125, 184713 (2006). Abstract Z. Li and D. Kosov, Dithiocarbamate Anchoring in Molecular Wire Junctions: A First Principles Study, Journal of Physical Chemistry B 110, 9893-9898 (2006). Abstract Z. Li and D. Kosov, Orbital Interaction Mechanisms of Conductance Enhancement and Rectification by Dithiocarboxylate Anchoring Group, Journal of Physical Chemistry B 110, 19116-19120 (2006). Abstract K. Müller, Effect of the atomic configuration of gold electrodes on the electrical conduction of alkanedithiol molecules, Physical Review B 73, 045403 (2006). Abstract Y. Qi, D. Guan, Y. Jiang, C. Liu, and D. Zhang, Theoretical study of the electronic transport property of the hydrogen-Pt contact system, Applied Physics Letters 89, 182119 (2006). Abstract Y. Qi, D. Guan, Y. Jiang, Y. Zheng, and C. Liu, How Do Oxygen Molecules Move into Silver Contacts and Change Their Electronic Transport Properties?, Physical Review Letters 97, 256101 (2006). Abstract Y. Qi, D. Guan, and C. Liu, DFT Study of the Transport Properties of Molecular Wire at Low Bias, Chinese Journal of Chemistry 24, 326-330 (2006). Abstract Y. Qi, D. Guan, and C. Liu, DFT study of the conductance of molecular wire: The effect of coupling geometry and intermolecular interaction on the transport properties, Science in China Series B: Chemistry 49, 492-498 (2006). Abstract X. Shi, Z. Dai, X. Zheng, and Z. Zeng, Ab Initio Electron Transport Study of Carbon and Boron-Nitrogen Nanowires, Journal of Physical Chemistry B 110, 16902-16907 (2006). Abstract K. Toyoda, K. Morimoto, and K. Morita, First-principles study on current through a single pi conjugate molecule for analysis of carrier injection through an organic/metal interface, Surface Science 600, 5080-5083 (2006). Abstract T. Uehara, R. V. Belosludov, A. A. Farajian, H. Mizuseki, and Y. Kawazoe, Electronic and Transport Properties of Ferrocene: Theoretical Study, Japanese Journal of Applied Physics 45, 3768-3771 (2006). Abstract Q. Yan, G. Zhou, S. Hao, J. Wu, and W. Duan, Mechanism of nanoelectronic switch based on telescoping carbon nanotubes, Applied Physics Letters 88, 173107 (2006). Abstract X. Yin, Y. Li, Y. Zhang, P. Li, and J. Zhao, Theoretical analysis of geometry-correlated conductivity of molecular wire, Chemical Physics Letters 422, 111-116 (2006). Abstract X. Yin, H. Liu, and J. Zhao, Electronic transportation through asymmetrically substituted oligo(phenylene ethynylene)s: Studied by first principles nonequilibrium Green's function formalism, Journal of Chemical Physics 125, 094711 (2006). Abstract X. Zheng, Z. Dai, X. Shi, and Z. Zeng, The role of the electrodes in a molecular conductor: an eigenchannel analysis, Journal of Physics: Conference Series 29, 91-94 (2006). Abstract X. Zheng, X. Shi, Z. Dai, and Z. Zeng, Transport properties of the Au_32 cluster with fullerene symmetry, Physical Review B 74, 085418 (2006). Abstract Y. Zhou, X. Zheng, Y. Xu, Z. Zeng, and Z. Zeng, Effects of Relative Orientation of Molecules on Electron Transport in Molecular Devices, Chinese Physics Letters 23, 2609-2612 (2006). Abstract Y. Zhou, X. Zheng, Y. Xu, and Z. Y. Zeng, Current rectification by asymmetric molecules: An ab initio study, Journal of Chemical Physics 125, 244701 (2006). Abstract 2005Z. X. Dai, X. H. Zheng, X. Q. Shi, and Z. Zeng, Effects of contact geometry on transport properties of a Si_4 cluster, Physical Review B 72, 205408 (2005). Abstract H. Geng, S. Yin, K. Chen, and Z. Shuai, Effects of Intermolecular Interaction and Molecule-Electrode Couplings on Molecular Electronic Conductance, Journal of Physical Chemistry B 109, 12304-12308 (2005). Abstract H. Gokturk, Electrical properties of ideal carbon nanotubes, 5th IEEE Conference on Nanotechnology 2, 677-680 (2005). Abstract Y. Hu, Y. Zhu, H. Gao, and H. Guo, Conductance of an Ensemble of Molecular Wires: A Statistical Analysis, Physical Review Letters 95, 156803 (2005). Abstract Q. Li, X. Wu, J. Huang, and J. Yang, Electronic transport property of 4,4'-bipyridine molecular junction, Ultramicroscopy 105, 293-298 (2005). Abstract M. Prakash, Teaching NanoScience in High-School Classroom Using TranSIESTA-C Software, Journal of Materials Education 27, 187-194 (2005). R. T. Senger, S. Tongay, S. Dag, E. Durgun, and S. Ciraci, Carbon string structures: First-principles calculations of quantum conductance, Physical Review B 71, 235406 (2005). Abstract R. T. Senger, S. Tongay, E. Durgun, and S. Ciraci, Atomic chains of group-IV elements and III-V and II-VI binary compounds studied by a first-principles pseudopotential method, Physical Review B 72, 075419 (2005). Abstract X. Shi, X. Zheng, Z. Dai, Y. Wang, and Z. Zeng, Changes of Coupling between the Electrodes and the Molecule under External Bias Bring Negative Differential Resistance, Journal of Physical Chemistry B 109, 3334-3339 (2005). Abstract Q. Yan, J. Wu, G. Zhou, W. Duan, and B. Gu, Ab initio study of transport properties of multiwalled carbon nanotubes, Physical Review B 72, 155425 (2005). Abstract 2004R. T. Senger, S. Dag, and S. Ciraci, Chiral Single-Wall Gold Nanotubes, Physical Review Letters 93, 196807 (2004). Abstract S. Tongay, R. T. Senger, S. Dag, and S. Ciraci, Ab-initio Electron Transport Calculations of Carbon Based String Structures, Physical Review Letters 93, 136404 (2004). |
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