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M-2131 PHD FOR THEORETICAL INVESTIGATION OF WATER SPLITTING ON FERROELECTRIC SURFACES

M-2131 PHD FOR THEORETICAL INVESTIGATION OF WATER SPLITTING ON FERROELECTRIC SURFACES

Are you passionate about research? So are we! Come and join us

The Luxembourg Institute of Science and Technology (LIST) is a Research and Technology Organization (RTO) active in the fields of materials, environment and IT. By transforming scientific knowledge into technologies, smart data and tools, LIST empowers citizens in their choices, public authorities in their decisions and businesses in their strategies.


https://www.list.lu/

 

You‘d like to contribute as a researcher? Join our Materials Research and Technology department

Through its research into advanced materials and processes, the “Materials Research and Technology” (MRT) department, with its 200 researchers and engineers, contributes to the emergence of enabling technologies that underpin the innovation processes of local and international industry. MRT’s activities hinge on four thematic pillars: nanomaterials and nanotechnology, scientific instrumentation and process technology, structural composites, and functional polymers.

The department also includes four high-tech platforms, focusing on composites, prototyping, characterization, and testing. These platforms serve both LIST research staff, and other stakeholders in Luxembourg.



Responsibilities

How will you contribute?

Hydrogen-powered fuel cells constitute one of the most promising alternatives to cover society’s energy needs in a green and sustainable way. In particular, the roadmap for the implementation of a “hydrogen economy” in Europe proposes the goal that 24% of the total energy demand be covered by hydrogen in 2050, which constitutes a major scientific, technological, and infrastructural challenge. Indeed, for example, for hydrogen-powered machines (e.g., cars) to be eco-friendly, we need to improve our ability to produce, store and distribute hydrogen in a non-polluting way. As regards hydrogen production, the most obvious possibility is to obtain it from water; indeed, there is a massive worldwide effort focused on improving photo-catalytic water splitting.


In this context, it has been observed in recent years that ferroelectric materials – which present a spontaneous and switchable electric polarization – offer a very promising platform for water splitting. More precisely, it has been observed that the photo-catalyzed breaking of H2O molecules is particularly efficient on the surface of ferroelectric and related compounds. This offers great hope for optimization, as there is a very good fundamental understanding of ferroelectrics and a lot of knowledge about how to modify their functional and dynamical properties. However, despite a growing amount of work in the field, the specific reasons why ferroelectric surfaces perform well for water splitting are not clear yet. Is it because of the natural tendency of a ferroelectric to drag/expel electric charges to screen its spontaneous polarization? Is it because of the bulk photovoltaic effect that is exclusive of polar compounds, which may facilitate a greater availability of photo-generated carriers to aid the chemical reaction? There is a pressing need to address these questions and eventually (or simultaneously) explore the full potential that ferroelectrics may offer as regards catalysis optimization.


Quantum simulation based on efficient schemes like density functional theory has been critical to our current understanding of ferroelectrics, featuring a long list of important predictions that were later confirmed experimentally. These methods also offer a very reliable approach to qualitative and quasi-quantitative studies of chemical reactions on surfaces. Hence, in this project we will use quantum-mechanical simulation to address the above-mentioned questions about water splitting on ferroelectrics. For example, we will study model ferroelectric materials and surfaces – both in idealized conditions and for realistic temperatures and water coverage levels – to identify the main factors affecting the interaction with H2O molecules and their eventual splitting. Once the critical ingredients are identified, we will propose modified ferroelectric compounds that should display an enhanced performance and use simulations to verify our hypotheses. We will be in contact with experimental LIST groups working on ferroelectrics and water splitting to potentially verify our most promising predictions.

 

The research with be supervised by Prof. Jorge Íñiguez (jorge.iniguez@list.lu), whose work can be consulted in Google Scholar, and to whom interested candidates are welcome to address their queries.



Must-have requirements

Is Your profile described below? Are you our future colleague? Apply now!

You hold a Master’s degree in Condensed Matter Physics, Materials Science, Mathematics or a related discipline.

 

Additionally, you have:

  • Knowledge of condensed matter physics and/or quantum chemistry
  • Knowledge with first principles simulation methods based on density functional theory
  • Great ability to work and thrive in a collaborative environment, alongside with an excellent team mentality.

 

On top of that, you have a very good command of both spoken and written English.



We offer

Your LIST benefits

An organization with a passion for impact and strong RDI partnerships in Luxembourg and Europe that works on responsible and independent research projects;

Sustainable by design, empowering our belief that we play an essential role in paving the way to a green society;

Innovative infrastructures and exceptional labs occupying more than 5,000 square metres, including innovations such as our Viswall, high-scale incubators and top of the range 3D/4D printings that are part of our toolkit for excelling in all we do;

Multicultural and international work environment with more than 45 nationalities represented in our workforce; 

Diverse and inclusive work environment empowering our people to fulfil their personal and professional ambitions;

Gender-friendly environment with multiple actions to attract, develop and retain women in science;

32 days paid annual leave, 11 public holidays, flexible working hours, 13-month salary, statutory health insurance and access to lunch vouchers;

Personalized learning programme to foster our staff’s soft and technical skills;

An environment encouraging curiosity, innovation and entrepreneurship in all areas.

 

Apply online

https://www.list.lu/en/jobs/

Your application must include:

  • A motivation letter explaining your interest in the position and detailing your background- mandatory
  • A scientific CV with contact details.
  • An academic record as complete as possible - mandatory
  • List of publications and patents, if applicable.
  • Contact details of 2 references.

 

Application procedure and conditions:

  • LIST is an equal opportunity employer and is committed to hiring and retaining diverse personnel. We value all applicants and will consider all competent candidates for employment without regard to national origin, race, colour, gender, sexual orientation, gender identity, marital status, religion, age or disability;
  • Applications will be reviewed on an ongoing basis until the position is filled;
  • An assessment committee will review the applications and select candidates based on guidelines that aim to ensure equal opportunities; 
  • The main criteria for selection will be the correspondence of the existing skills and expertise of the applicant with the requirements mentioned above.

 

Additional conditions:

  • Supervisor: Prof. Jorge Íñiguez (jorge.iniguez@list.lu)
  • Work location: Luxembourg Institute of Science and Technology (LIST), Belvaux, Luxembourg
  • Preferred start date: September 1, 2023.
  • PhD enrolment: University of Luxembourg

Please note the university costs are at the charge of the student.

REQUIREDLANGUAGES

To be considered for this position it is crucial that you have knowledge of the following languages
  • Read C1 Advanced
    Write C1 Advanced
    Speak C1 Advanced

OPTIONAL LANGUAGES

The following languages are optional but are considered a plus.
  • Read B1 Intermediate
    Write B1 Intermediate
    Speak B1 Intermediate
  • Read B1 Intermediate
    Write B1 Intermediate
    Speak B1 Intermediate
  • Read B1 Intermediate
    Write B1 Intermediate
    Speak B1 Intermediate
minimum required Education
Required work experience in years
1 or more years
Details
Employment type
Contract type
Hours per week
40
Contract period
Months
Contract duration
48
Location
Country
City
Esch-Sur-Alzette
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