PhD in solid state chemistry - Designing layered mixed anion compounds for water-splitting photocatalysis

4 Apr 2024
Job Information

Organisation/Company

Nantes Université

Department

IMN UMR-CNRS 6502

Research Field

Chemistry » Inorganic chemistry
Physics » Solid state physics
Engineering » Materials engineering

Researcher Profile

First Stage Researcher (R1)

Country

France

Application Deadline

30 Aug 2024 - 23:59 (Europe/Paris)

Type of Contract

Temporary

Job Status

Full-time

Hours Per Week

35

Offer Starting Date

1 Oct 2024

Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme

Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

Context:

The design of functional materials based on Mixed-Anion chemistry has emerged in recent years with several striking examples to tune and/or enhance properties in various fields such as non-linear optical materials, magnetism, superconductors, visible light photocatalysis, etc.…  In the context of global warming, photocatalytic splitting of water is a promising and simple way to produce H2 (a sustainable fuel) from water and sunlight if appropriate photocatalysts are developed. Mixed anion photocatalysts have attracted attention first with oxynitrides because they are active in the solar spectrum thanks to N 2p states which narrow the band gap compared to oxides. Oxychalcogenides are since recently showing potential as alternative and stable candidates.

 

Objectives:

In this project we will explore a selection of layered oxychalcogenides to elaborate and study (experimentally and theoretically) new photocatalysts trough anionic substitution and/or cationic substitution with a lone pair cation.  Photocatalytic activity in the visible region requires a material with a bandgap < 3.10 eV, which is easily reachable in this class of materials, and appropriate band edges position. After light absorption and generation of electron-hole pairs, the electrons or holes should separate and migrate to the surface to react with H2 O to produce H2 and/or O2 , this process should be facilitated by the low dimensionality (layered) and the mixed anion environment (acentric character and internal electrical field).

The selected compounds will be characterized in particular by X-ray diffraction (on powder and single crystals) and electron microscopy after a synthesis optimization step (the use of mild chemistry techniques will be favored when possible). Photocatalytic tests for water-splitting and photoelectrochemical characterizations will be carried out. Experimental and numerical techniques (DFT simulations) to characterize the electronic structure will be used simultaneously to study the structure-properties relationships.

Requirements

Research Field

Chemistry » Inorganic chemistry

Education Level

Master Degree or equivalent

Skills/Qualifications

The candidate should have the ability to work with solid state chemistry approaches while being involved in modeling (Density Functional Theory (DFT) based simulations), because both will be complementary in the comprehension of the structure-properties relationships. The candidate should be meticulous and perseverant and will have to communicate, interact and work with a strong team spirit.

Languages

ENGLISH

Level

Good

Additional Information
Work Location(s)

Number of offers available

1

Company/Institute

IMN UMR-CNRS 6502

Country

France

City

NANTES

Postal Code

44000

Street

2 Rue de la Houssinière

Geofield

Where to apply

Website

https://theses.doctorat-bretagneloire.fr/3mg/campagne-2024/recherche-exploratoi…

Contact

City

NANTES

Website

https://www.cnrs-imn.fr/
http://WWW.UNIV-NANTES.FR

Street

1 QUAI DE TOURVILLE, BP 13522, 44035 NANTES CEDEX 01

E-Mail

[email protected]
[email protected]
[email protected]

STATUS: EXPIRED