Superfunctional Nanomaterials and Nanodevices: Electronic/Spintronic Transport, Spectroscopy, and Dynamics

Dr. Kwang S. Kim (UNIST)
Saturday, 95/03/08 (May 28, 2016), 15:30


The success of novel molecular and material design depends on a comprehensive understanding of inherent atomic/molecular properties, interatomic/molecular interactions, and dynamic/ transport properties of molecular/material systems [1,2]. I elaborate on how we have designed functional carbon-based nanomaterials and nanodevices. These include intriguing organic nanostructures [3,4], large-scale graphene [5], and graphene functionalization towards energy storage, gas storage, water remediation [6], and fuel cell catalysts [7]. Novel assembling phenomena of diverse nanostructures of molecules and the utilization of the resulting unusual functional characteristics as devices are discussed. Novel nano-optics phenomena are presented based on self-assembled nano-scale lenses which show near-field focusing and magnification beyond the diffraction limit [8]. Electron/spin transport phenomena in molecular electronic/spintronic devices and graphene nanoribbon spin valves are discussed based on non-equilibrium Green function (NEGF) theory [9]. By utilizing Fano-resonance driven 2-dimensional molecular electronics spectroscopy using graphene nanoribbon, the quantum conductance spectra of a graphene nanoribbon placed across a fluidic nanochannel can lead to fast DNA sequencing including cancerous methylated nucleobases detection [10,11]. I also discuss the limits of superheating and supercooling of vapor from Monte Carlo simulations using microscopic models with configurational enthalpy as the order parameter [12]. Then, I discuss a direct calculation of the collective liquid properties using ab initio many body molecular dynamics simulations. Finally, the development of attosecond spectroscopy to detect electronic motions in attosecond timescale is addressed. Using our code for real-time electron dynamics coupled to nuclear motion, we have investigated optical band gap, excitation energy, real time electronic motions, and Berry phase [13].

  • [1] Y. Cho et al. Acc. Chem. Res. 2014, 47, 3321.
  • [2] V Georgakilas et al. Chem. Rev. 2012, 112, 6156.
  • [3] B. H. Hong et al. Science 2001, 294, 348.
  • [4] Y Chun et al. Nature Commun. 2013, 4, 1797.
  • [5] K. S. Kim et al. Nature 2009, 457, 706.