Chao-Cheng Kaun 關肇正
Associate Research Fellow

Ways to contact me:
Fax: 886-2-2787-3122
Address: Research Center for Applied Sciences, Academia Sinica
128 Sec. 2, Academia Road, Nankang, Taipei 11529, Taiwan



Research Fields:

  • Computational nanoelectronics and spintronics
  • Quantum transport theory in mesoscopic systems
  • Emerging materials for sustainable energy

Recent Publications:

  1. T.-N. Lam, Y.-L. Huang, K.-C. Weng, Y.-L. Lai, M.-W. Lin, Y.-H. Chu, H.-J. Lin, C.-C. Kaun, D.-H. Wei, Y.-C. Tseng* and Y.-J. Hsu*, "The Spin Filtering of a Termination-controlled LSMO/Alq3 Heterojunction for an Organic Spin Valve", J. Mater. Chem. C, Accepted (2017).
    [ DOI:10.1039/C7TC02559A ]
  2. K.-W. Chang, W. Ji* and C.-C. Kaun*, "Layer-Separable and Gap-Tunable Topological Insulators", Phys. Chem. Chem. Phys. 19, 3932 (2017).
    [ DOI:10.1039/C6CP06932K ]
  3. K. P. Dou and C.-C. Kaun*, "Conductance switching of a phthalocyanine molecule on an insulating surface", Front. Phys. 12, 127303 (invited paper, 2017).
    [ DOI:10.1007/s11467-016-0623-0 ]
  4. C.-R. Wu, K. P. Dou, C.-H. Wang, C.-E. Chang, C.-C. Kaun, C.-H. Wu and S.-Y. Lin*, "Dual-Cut Graphene Transistors with Constant-Current Regions Fabricated by the Atomic Force Microscope Anode Oxidation", Jpn. J. Appl. Phys. 56, 010307 (2017).
    [ DOI:10.7567/JJAP.56.010307 ]
  5. Y. Y. Pan, Y. H. Su*, C. H. Hsu, L. W. Huang, K. P. Dou, and C. C. Kaun*, "First-Principles Study on Electronic Structures of FAPbX3 (X = Cl, Br, I) Hybrid Perovskites", J. Advances in Nanomaterials 1, 33 (2016).
    [ DOI:10.22606/jan.2016.11004 ]
  6. K.-P. Dou and C.-C. Kaun*, "Conductance Superposition Rule in Carbon Nanowire Junctions with Parallel Paths", J. Phys. Chem. C 120, 18939 (2016).
    [ DOI:10.1021/acs.jpcc.6b06399 ]
  7. Y.-Y. Pan, Y.-H. Su*, C.-H. Hsu, L.-W. Huang, and C.-C. Kaun*, "The Electronic Structure of Organic-Inorganic Hybrid Perovskite Solar Cell: A First-Principles Analysis", Comput. Mater. Sci. 117, 573 (2016).
    [ DOI:10.1016/j.commatsci.2015.12.015 ]
  8. C.-H. Chang*, K.-P. Dou, Y.-C. Chen, T.-M. Hong, and C.-C. Kaun*, "Engineering the interlayer exchange coupling in magnetic trilayers", Scientific Reports 5, 16844 (2015).
    [ DOI:10.1038/srep16844 ]
  9. H.-H. Yang, H.-H. Tsai, C.-F. Ying, T.-H. Yang, C.-C. Kaun*, C.-h. Chen*, and M.-T. Lin*, "Tuning Molecule-Substrate Coupling via Deposition of Metal Adatoms", J. Chem. Phys. 143, 184704 (2015).
    [ DOI:10.1063/1.4935714 ]
  10. K.-P. Dou, J.-S. Tai, and C.-C. Kaun*, "Conductance of a Single Magnesium Porphine Molecule on an Insulating Surface", J. Phys. Chem. C 119, 25129 (2015).
    [ DOI:10.1021/acs.jpcc.5b08795 ]
  11. Y.-R. Chen*, K.-Y. Chen, K.-P. Dou, J.-S. Tai, H.-H. Lee, and C.-C. Kaun, "Electron Transport through Polyene Junctions in between Carbon Nanotubes: An Ab Initio Realization", Carbon 94, 548 (2015).
    [ DOI:10.1016/j.carbon.2015.06.085 ]
  12. S.-T. Pi, K.-P. Dou, C.-S. Tang*, and C.-C. Kaun*, "Site-Dependent Doping Effects on Quantum Transport in Zigzag Graphene Nanoribbons", Carbon 94, 196 (2015).
    [ DOI:10.1016/j.carbon.2015.06.069 ]
  13. Y.-H. Chu, C.-H. Hsu, C.-I Lu, H.-H. Yang, T.-H. Yang, C.-H. Luo, K.-J. Yang, S.-H. Hsu, G. Hoffmann, C.-C. Kaun, and M.-T. Lin*, "Spin-Dependent Molecule Symmetry at a Pentacene-Co Spinterface", ACS Nano 9, 7027 (2015).
    [ DOI:10.1021/acsnano.5b03117 ]
  14. C.-H. Hsu, Y.-H. Chu, C.-I Lu, P.-J. Hsu, S.-W. Chen, W.-J. Hsueh, C.-C. Kaun*, and M.-T. Lin*, "Spin-Polarized Transport through Single Manganese Phthalocyanine Molecules on a Co Nanoisland", J. Phys. Chem. C 119, 3374 (2015).
    [ DOI:10.1021/jp510930y ]
  15. Y.-C. Chen, S.-H. Hsu, C.-C. Kaun*, and M.-T. Lin*, "Spin-Polarized Negative Differential Resistance in a Self-Assembled Molecular Chain", J. Phys. Chem. C 118, 21199 (2014).
    [ DOI:10.1021/jp5059947 ]
  16. C. Butler, H.-H. Yang, J.-Y. Hong, S.-H. Hsu, R. Sankar, C.-I Lu, H.-Y. Lu, K.-H. Ou Yang, H. W. Shiu, C.-H. Chen, C.-C. Kaun, G.-J. Shu, F.-C. Chou, and M.-T. Lin*, "Mapping Polarization Induced Surface Band Bending on the Rashba Semiconductor BiTeI", Nature Communications 5, 4066 (2014).
    [ DOI:10.1038/ncomms5066 ]
  17. H. Tang, K. Dou, C.-C. Kaun, Q. Kuang, and S. Yang*, "MoSe2 Nanosheets and Their Graphene Hybrids: Synthesis, Characterizations and Hydrogen Evolution Reaction Studies", J. Mater. Chem. A 2, 360 (2014).
    [ DOI:10.1039/c3ta13584e ]
  18. A. Sen, C.-J. Lin, and C.-C. Kaun*, "Single-Molecule Conductance through Chiral Gold Nanotubes", J. Phys. Chem. C 117, 13676 (2013).
    [ DOI:10.1021/jp402531p ]
  19. H.-H. Yang, Y.-H. Chu, C.-I Lu, T.-H. Yang, K.-J. Yang, C.-C. Kaun, G. Hoffmann, and M.-T. Lin*, "Digitized Charge Transfer Magnitude Determined by Metal-Organic Coordination Number", ACS Nano 7, 2814 (2013).
    [ DOI:10.1021/nn4003715 ]
  20. M. D. Croitoru*, A. A. Shanenko, C. C. Kaun, and F. M. Peeters, "Ultra-small metallic grains: effect of statistical fluctuations of the chemical potential on superconducting correlations and vice versa", J. Phys.: Condens. Matter 24, 275701 (2012).
    [ DOI:10.1088/0953-8984/24/27/275701 ]
  21. Y.-H. Tang, V. M. K. Bagci, J.-H. Chen, and C.-C. Kaun*, "Conductance of Stretching Oligothiophene Single-Molecule Junctions: A First-Principles Study", J. Phys. Chem. C 115, 25105 (2011).
    [ DOI:10.1021/jp209671v ]
  22. V. M. K. Bagci and C.-C. Kaun*, "Recognizing nucleotides by cross-tunneling currents for DNA sequencing", Phys. Rev. E 84, 011917 (2011). (selected for the August 1, 2011 issue of Virtual Journal of Biological Physics Research)
    [ DOI:10.1103/PhysRevE.84.011917 ]
  23. D. A. Luzhbin* and C.-C. Kaun, "Bias-driven super-insulating state in prismane single-molecule contacts", Physica Status Solidi-Rapid Research Letters 5, 265 (2011).
    [ DOI:10.1002/pssr.201105279 ]
  24. M. D. Croitoru, A. A. Shanenko*, C. C. Kaun, and F. M. Peeters, "Metallic nanograins: Spatially nonuniform pairing induced by quantum confinement", Phys. Rev. B 83, 214509 (2011).
    [ DOI:10.1103/PhysRevB.83.214509 ]
  25. N. L. Yoder, R. Jorn, C.-C. Kaun, T. Seideman* and M. C. Hersam*, "Current-Driven Desorption at the Organic Molecule-Semiconductor Interface: Cyclopentene on Si(100)", Current-Driven Phenomena in Nanoelectronics, Chapter 7, P. 196 (Pan Stanford, Singapore, 2011).
  26. A. Sen and C.-C. Kaun*, "Effect of Electrode Orientations on Charge Transport in Alkanedithiol Single-Molecule Junctions", ACS Nano 4, 6404 (2010).
    [ DOI:10.1021/nn101840a ]
  27. D. A. Luzhbin* and C.-C. Kaun*, "Origin of high- and low-conductance traces in alkanediisothiocyanate single-molecule contacts", Phys. Rev. B 81, 035424 (2010). (selected for the February 8, 2010 issue of Virtual Journal of Nanoscale Science & Technology)
    [ DOI:10.1103/PhysRevB.81.035424 ]
  28. M. D. Croitoru, A. A. Shanenko*, C. C. Kaun, and F. M. Peeters, "Superconducting nanowires: Interplay of discrete transverse modes with supercurrent", Phys. Rev. B 80, 024513 (2009). (selected for the August 3, 2009 issue of Virtual Journal of Nanoscale Science & Technology)
    [ DOI:10.1103/PhysRevB.80.024513 ]
  29. C.-C. Kaun and T. Seideman*, "Conductance, contacts and interface states in single alkanedithiol molecular junctions", Phys. Rev. B 77, 033414 (2008).
    [ DOI:10.1103/PhysRevB.77.033414 ]
  30. C.-C. Kaun and T. Seideman*, "The gating efficiency of single-molecule transistors", Journal of Computational and Theoretical Nanoscience 3, 951 (invited paper, 2006).
    [ DOI:10.1166/jctn.2006.010 ]
  31. N. L. Yoder, N. P. Guisinger, M. C. Hersam*, R. Jorn, C.-C. Kaun and T. Seideman*, "Quantifying desorption of saturated hydrocarbons from silicon with quantum calculations and scanning tunneling microscopy", Phys. Rev. Lett. 97, 187601 (2006). (selected for the Nov. 15, 2006 issue of Virtual Journal of Biological Physics Research)
    [ DOI:10.1103/PhysRevLett.97.187601 ]
  32. C.-C. Kaun, R. Jorn, and T. Seideman*, "Spontaneous oscillation of current in fullerene molecular junctions", Phys. Rev. B 74, 045415 (2006). (selected for the July, 2006 issue of Virtual Journal of THz Science and Technology)
    [ DOI:10.1103/PhysRevB.74.045415 ]
  33. C.-C. Kaun and T. Seideman*, "Current-driven oscillations and time-dependent transport in nanojunctions" , Phys. Rev. Lett. 94, 226801 (2005). (selected for the June 20, 2005 issue of Virtual Journal of Nanoscale Science & Technology and the July, 2005 issue of Virtual Journal of Ultrafast Science)
    [ DOI:10.1103/PhysRevLett.94.226801 ]
  34. C.-C. Kaun, H. Guo*, P. Grütter, and R. B. Lennox, "Momentum filtering effect in molecular wires", Phys. Rev. B 70, 195309 (2004). (selected for the Nov. 22, 2004 issue of Virtual Journal of Nanoscale Science & Technology)
    [ DOI:10.1103/PhysRevB.70.195309 ]
  35. Y. Zhu, C.-C. Kaun, and H. Guo*, "Contact, charging, and disorder effects on charge transport through a model DNA molecule", Phys. Rev. B 69, 245112 (2004). (selected for the July 1, 2004 issue of Virtual Journal of Biological Physics Research)
    [ DOI:10.1103/PhysRevB.69.245112 ]
  36. C.-C. Kaun* and H. Guo, "Resistance of alkanethiol molecular wires", Nano Lett. 3, 1521 (2003).
    [ DOI:10.1021/nl0346023 ]
  37. C.-C. Kaun*, B. Larade, and H. Guo, "Electrical transport through oligophenylene molecules: A first-principles study of the length dependence", Phys. Rev. B 67, 121411 (R) (2003). (selected for the April 14, 2003 issue of Virtual Journal of Nanoscale Science & Technology)
    [ DOI:10.1103/PhysRevB.67.121411 ]
  38. C.-C. Kaun, B. Larade, H. Mehrez, J. Taylor, and H. Guo*, "Current-voltage characteristics of carbon nanotubes with substitutional nitrogen", Phys. Rev. B 65, 205416 (2002). (selected for the May 27, 2002 issue of Virtual Journal of Nanoscale Science & Technology)
    [ DOI:10.1103/PhysRevB.65.205416 ]