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Chemistry Education 2018
Journal of Organic & Inorganic Chemistry
ISSN: 2472-1123
Page 62
August 27-28, 2018
Zurich, Switzerland
8
th
Edition of International Conference on
Chemistry Education
and Research
T
he world’s dependence on fossil fuels has led to the need
for alternate sources of energy as supplies dwindle, as well
as a growing need to remove harmful compounds from the
air. Hydrogen energy and lithium-ion batteries are promising
candidates for supplanting fossil fuels for automobileapplications
while novel adsorbents like metal-organic frameworks (MOFs)
are promising materials for removing harmful gases. To date, the
author’s researches have been concernedwith both aspects of the
fossil fuel problem. Regarding hydrogen energy, his researches
are focused on understanding the thermodynamics of metal
hydride reactions for hydrogen storage applications. Specifically,
the goal is to screen thermodynamically promising metal hydride
reactions from a full database of metal hydride mixtures using
first-principles calculations. The large-scale screening approach
ultimately provides a number of promising single-step or multi-
step metal hydride reactions. On the other hand, his research
focus in the field of the lithium-ion batteries is on fundamentally
understanding the thermodynamics and redox properties of
promising electrode materials which would directly affect the
battery capacity. The author’s researches on MOFs are related
to investigating promising MOFs for the removal and separation
of harmful gases. Quantum mechanical methods are used to
screen and assess functional groups that would be incorporated
into MOF ligands to preferentially adsorb harmful gases under
humid conditions. In conclusion, his research goal is to contribute
to the community for the transition to environmentally friendly
ecosystems.
kich2018@konkuk.ac.krComputational materials design for energy and environmental
applications
Ki Chul Kim
Konkuk University, South Korea
J Org Inorg Chem 2018, Volume 4
DOI: 10.21767/2472-1123-C5-015