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20.4.15 | 
Dear all,
FYI.
Best regards,
Iwan H. Sahputra
Iwan H. Sahputra
PhD position at the Max Planck Graduate Center in Mainz, Germany
Metal-organic framework growth: Mechanistic insight for tailored device design
Job offer from March 17, 2015
Metal-organic frameworks (MOFs) are increasingly attracting
attention as versatile functional materials for sensing, catalysis,
optoelectronics and energy storage/conversion applications. Particularly
attractive is the possibility of strategic combination of metallic and
organic building blocks to create custom-tailored MOF materials with
desired structure and functionality. In order to achieve such systematic
MOF device design, fundamental understanding of the nucleation phase
and early growth stages that govern the final material properties is
urgently required.
The overall aim of the proposed PhD project is to derive a
theoretical model for electrochemically controlled MOF growth that
relates relevant tunable synthesis parameters, such as initial structure
and composition, to the resulting MOF 2D/3D structure and chemical
functionality.
More specific, we will investigate how metal/organic-linker/dopant
concentrations and electrochemical synthesis potential govern the
structure and crystallinity as well as the chemical sensing properties
of a showcase luminescent Zn-MOF routinely used in advanced sensing
applications. With help of such a theoretical model, bottom-up
fabrication protocols can be developed that enable rational design of
functional MOF materials.
The project will involve the advance of current computational
electrochemistry techniques on a multiscale approach where small size
electronic structure calculations will be combined with largescale
atomistic simulations including reactive force fields (Jun. Prof. M.
Sulpizi, JGU). The simulated models will be tested against experimental
data, namely electrochemical vibrational spectroscopy (nearfield and
nonlinear Raman, infrared) and complementary in situ scanning probe
techniques (STM, AFM) (Dr. K.F. Domke, MPIP). The powerful combination
of theoretical and experimental insight will provide a unique base for
the development of strategic preparation protocols for MOFs with
tailored architectures and functionalities.
Who can apply?
Mandatory requirements are: - master in Physics, Chemistry or
Materials Science - good knowledge of Statistical Mechanics or
Electronic Structure Theory; good knowledge of modern programming and
scripting languages; proficiency in spoken and written English
language.
Application process
Applications including a statement of interest, curriculum vitae
and name and address of at least one reference person, should be sent
to sulpizi@uni-mainz.de.
__._,_.___
Posted by: Iwan Halim Sahputra <halimits@yahoo.com>
