Description of the project:

The project consists of the development and characterization of hybrid luminescent nanomotors based on material heterojunctions. The monitoring of their motion modes and interactions, after a pre-charging step, will be investigated as well.

Tasks to be performed by the PhD student:

- Motion and tracking analysis of self-propelled nanomotors.

- Understanding of their motion behaviours under different experimental conditions.

- Simulation of electrical and flow fields generated around the particles.

Preferred skills or background:

Active matter, fluid mechanics, 2D simulations, and physics.

Description of the project: 

Description of the project: The art of organic synthesis and reaction discovery relies on logic-guided thought processes that often involve hypovalent carbon reactive species and their corresponding stabilized equivalent forms. However, not all of the possible carbon reactive intermediates and their reactivity rules have attracted the same attention by the synthetic community. This is mainly because of the perception of the lack of synthetic utility and importantly, because of the challenges associated with controlling its extreme reactivity and lack of efficient sources. The main goal of this project is to invent and develop new chemical reactions based on equivalents of carbyne species –the monovalent carbon species–, and exploit them as molecular editing tools to reach previously unattainable chemical space with applications in natural product synthesis, organometallic chemistry, late-stage functionalization of complex molecular architectures, PET imaging and material science.

Tasks to be performed by the PhD student: The student will be involved in the following tasks:

The main task is to discover new synthetic concepts with through the activation of C-H and C-C bonds.

Preferred skills or background:

We are looking for top-caliber PhD students with a Bachelor and Master Degrees in chemistry and a background in synthetic organic chemistry, catalysis or organometallic chemistry. The student will work in a state-of-the-art laboratory equipped with advance analytical tools (GC-MS, UHPLC-MS, SFC-MS), automated flash chromatography systems, photoreactors, electrochemistry kits, high-throughput experimentation facilities, etc.

Description of the project: 

The research will focus on designing new catalysts to transform CO2 into fuels in the research group of Prof. J. Lloret-Fillol.

The development of greener production methods is critical to ensure a future sustainable society. On this ground, photo and electrochemical processes can be powered by renewal energy sources (sunlight, wind, etc..) to transform abundant molecules (water, CO2, etc..) to produce synthetic fuels. Still, our understanding of these processes is limited, and mechanistic studies are essential to design more active and selective catalysts.

In this context, the project's objective will be to develop a robust, effective, and well-defined catalyst, guided by rational design and automatization. Mechanistic studies will be performed by a combination of electrochemistry, advanced spectroscopy, and labeling.

Training: The project will involve training in synthesis under strictly controlled conditions, advanced spectroscopy, computational chemistry, mechanistic investigations and automatization of chemical processes.

The candidate must have a degree in chemistry or chemical engineering be highly motivated, responsible, creative, and responsible. In addition, the knowledge on organic, inorganic and computational chemistry will be evaluated. Good written and oral communication skills in English are required.

Description of the project:

Preparation of transition metal complexes as redox catalysts for the generation of solar fuels.

Tasks to be performed by the PhD student:

• Syntheis and purificaction of organic compounds and their transition metal comeplexes.
• Analytic and spectroscopic characterization of ligands and complexes
• Descriptinof their redox properties

Preferred skills or background: 

Degree and Masters in Chemistry

Strong synthesis background

Description of the project:

Application of DFT, DFT/MM and microkinetic modeling to the study of reactions catalyzed by multimetallic systems in solution

Tasks to be performed by the PhD student: 

Bibliographical research, high performance calculations with DFT, prediction of reaction times with microkinetic modeling, writing of reports and publications, oral presentations.

Preferred skills or background: 

Master degree in Chemistry, Physics or related topic. Experience on DFT calculations with Gaussian or similar code,

Description of the project:

Materials based on inorganic/organic hybrid assemblies display promising properties for energy and molecular electronics applications. This project aims at applying multi-scale computational methods to atomistic models of such complex systems so to shed light in the relationship between structure and properties. The final goal is to develop predictive computational protocols to accelerate the discovery of new materials and optimize their performance.

Tasks to be performed by the PhD student:

• Carry out computational studies using both quantum chemistry and classical methods, and multi-scale simulations.
• Develop new codes (Python preferently) to implement new methods and protocols.
• Collect, visualize and analize complex datasets.
• Write scientific reports.
• Attend scientific meetings, group activities, etc …

Preferred skills or background:

• Candidates must have a Master’s or an equivalent degree in the areas of Chemistry, Physics, Chemical Engineering or related disciplines that must be completed by the time of enrolment in the PhD programme.
• Programming skills (Python is highly desirable), good communication skills in English, teamwork abilities.