Prof. Kim will be available for discussions before and after his Seminar\, if you are interested in a meeting with him\, please let us know (nanoseminar@nano.tu-dresden.de)
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The success of novel molecular and material design depe
nds on a comprehensive understanding of
inherent atomic/molecular prope
rties\, interatomic/molecular interactions\, and dynamic/transport
prop
erties of molecular/material systems. Here I elaborate on the interplay be
tween theory and
experiment to design superfunctional carbon-based nano
materials and nanodevices. These include
intriguing organic nanostructu
res\, large-scale graphene\, and functionalized carbon hybrid materials fo
r
energy harvesting\, fuel cells\, gas storage\, water remediation\, an
d medical treatment. Assembling
phenomena of diverse nanostructures and
utilization of the resulting unusual functional characteristics as
dev
ices are addressed. Selective sensing of fullerenes and fluorescence-sensi
ng of RNA over DNA are
achieved with π+-π\, π-π interactions and ch
arged hydrogen bonding. The temperature-driven transient
molecular gati
ng in covalent organic molecular frames can store gaseous molecules in ord
ered arrays
toward unique collective properties. Using self-assembled n
ano-scale lenses\, hyper-resolution
phenomena showing near-field focusi
ng and magnification beyond the diffraction limit are manifested
Intrig
uing nanophotonics phenomena is also addressed. I will also elaborate on a
recent development of
Pt nanoclusters and nanodendrites in a genomic-d
ouble-stranded-DNA/reduced-graphene-oxide.
Compared to state-of-the-art
catalysts\, the as-synthesized hybrid materials display outstanding catal
ytic
activities toward the oxygen reduction reaction (ORR). Moreover\,
the hybrid exhibited a constant mass
activity for the ORR over a wide p
H range 1-13. Super-paramagnetisim was exploited to remediate water
wit
h magnetite in graphene. I also discuss electron/spin transport phenomena
in molecular
electronic/spintronic devices and super-magnetoresistance
of graphene nanoribbon spin valves using
non-equilibrium Green function
theory plugged in density functional theory. By utilizing Fano-resonance<
br>driven 2-dimensional molecular electronics spectroscopy using graphene
nanoribbon\, the hyper-sensitive
quantum conductance spectra of a graph
ene nanoribbon placed across a fluidic nanochannel can lead to
fast DNA
sequencing including cancerous methylated nucleobases detection. Along wi
th this line\, the
development of attosecond spectroscopy to detect ele
ctronic motions in attosecond timescale is
addressed. Finally\, collect
ive properties of liquids and solids are discussed based on ab initio many
body
molecular dynamics simulations. Phase transitions of materials an
d the limits of superheating and
supercooling of vapor are studied with
Monte Carlo simulations using microscopic models with
configurational
enthalpy as the order parameter so that water can be harvested in dry and
hot conditions.
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