Comparative DFT and catalytic evaluation of modified graphene supported nano oriented metals for electrochemical oxygen reduction and C-C coupling reactions
Project ID: PN-III-P1-1.1-TE2016-2191
JOB POSITION 1
Center of Organic Chemistry "C.D. Nenitzescu" located in Bucharest, has an opening for a postdoctoral researcher in the area of computational catalysis science in the PN-III-P1-1.1-TE-2016-2191 project "Comparative DFT and catalytic evaluation of modified graphene supported nano oriented metals for electrochemical oxygen reduction and C-C coupling".
The researcher will apply state of art of computational chemistry tools focused on the understanding development of heterogeneous catalysts for the oxygen reduction on doped graphene (Co,Fe,N) and/or for C-C coupling reactions on gold based catalysts (clusters/nanoparticles on graphene).
Job activities will include defining and performing ab initio simulations with minimal oversight using standard software packages (eg. GPAW or if needed Gaussian) to elucidate surface catalyzed reaction mechanisms on above mentioned systems. The candidate provide frequent research updates and colaborate in the preparation of a scientific article.
REQUIRED EDUCATION LEVEL
Chemistry: PhD or equivalent
Romanian: Mother Tongue
English: Good command
A phD in chemical engineering, chemistry, materials science, physics or closely related field. Research experience with ab initio simulations and heterogeneous catalysis.
Expertise in computational chemistry including proficiency in common ab initio codes (e.g., VASP/GPAW/Gaussian); proficiency in shell scripting and/or Python programming; experience in any of electrocatalysis, microkinetics, machine-learning, and/or development of automated approaches for high-throughput ab initio studies; experience collecting and interpreting experimental kinetic and catalyst characterization data for integrated computational-experimental studies and/or extensive experience working in close collaboration with experimental teams.
JOB POSITION 2
The Center of Organic Chemistry "C.D. Nenitescu" of the Romanian Academy is opening a termporary part time assistant research (phd) position in the project PN-III-P1-1.1-TE-2016-2191 "Comparative DFT and catalytic evaluation of modified graphene supported nano oriented metals for electrochemical oxygen reduction and C-C coupling reactions"
For details see: