Postdoctoral researcher in Theoretical Chemistry – M/F

Job title: Postdoctoral researcher in Theoretical Chemistry – M/F

Company:

Location: Pau, Pyrénées-Atlantiques

Job Description: Offer DescriptionIPREM is looking for a dynamic, pro-active post-doc who will drive forward predictive modelling capabilities to model the energy levels and absorption curves of energy levels of the OPV components.
The work will correlate energy levels and light absorbances of the materials in the organic solar cell. The motivation for this work is to preselect poly(fullerene)s (PFs) from the huge number of macromolecules that can be made using the modular synthetic technology of our team, to allow the synthetic work to focus on the most successful macromolecules. This work will therefore ensure that the PFs have the correct energy levels to

  • afford a cascade of electronic charges to the cathode from the PF, NFA and donor polymer segments
  • have optimized light absorptions in UV, near-UV and blue lights, complementary to NFAs and donor polymers

– Predict optical bandgaps, absorption intensities and light penetration depths using density functional theory (DFT, CASSCF) with Gaussian and MOLPRO codes (molecular approach) and in-house Python scripts.
– Using these simulations with LAMMPS (MD simulations)
– Developing the use of CRYSTAL (solid state approach) to understand long-range impacts on the electronic and opto-electronic qualities of the donor polymers and interfacial materials, in a process that our team has perfected over the last three years in-house.
– Writing reports in English
– Oral presentations of results in English
– The position will also include international travel to conferences and meetings with partners/collaborators.IPREM (Institute of analytical sciences and physico-chemistry for the environment and materials) is a CNRS / UPPA Joint Research Unit (UMR 5254), . IPREM brings together more than 300 people who are interested in the development of fundamental knowledge in physico-chemistry, analytical chemistry and microbiology, in relation to applications concerning the structure of living things, environmental management and the functional properties of different classes of materials. IPREM has a strong international reputation, especially in chemistry and modelling of materials for organic solar cells.CONTEXT – SCIENTIFIC FRAMEWORK
The project Efficient Organic Photovoltaic Sensors (EFFECTOR) will last for 36 months starting 1st October 2024 and is financed to the tune of 3 million Euros by the European Commission. EFFECTOR will deliver innovative and environmentally-friendly solutions for digital and wearable electronics. These objects will be individually powered by harvesting low-level light and will be made from sustainable materials for a bright digital future.EFFECTOR will create new sustainable European value chains for photovoltaic technologies and open new innovative business-to-business operations by doubling the efficiency of non-toxic organic solar cells for use under low-level light. It will couple in a streamline way with non-toxic, sustainable supercapacitors with advanced low power electronics. The EFFECTOR strategy is to bring solar cell technology to mainstream use by eliminating the need for mains electricity from everyday human-centred electronics. It will develop sustainable materials and processes, using non-toxic materials and reducing environmental impact applicable for a huge raft of human-centred technologies and innovations. It will remove the need for difficult to recycle, toxic batteries from widely used IoT applications.
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EFFECTOR draws on the world-leading inkjet organic photovoltaic devices (OPV) manufacturing of Dracula Technologies, the sustainable non-toxic aqueous supercapacitors of Innocell, and the high-fidelity power management systems from e-peas. With its world-leading academic partners in solar cell design (SDU), high throughput industrial electronic printing and integration (VTT) and polymers for solar cell stabilization (CNRS), it will demonstrate this innovative multi-faceted approach in vital health monitoring with Polar and portable device applications with CardLab’s biometric card technology. EFFECTOR will demonstrate how low-level and indoor light can power our future in a secure, reliable and sustainable way.THE EFFECTOR MISSION
EFFECTOR has the two overarching objectives of

  • Doubling the efficiency of industrial scale organic solar cells working indoors
  • developing a template for OPV integration into Internet of Things (IoT) applications so that they will be used without mains power or batteries, and become a sustainable human- centric non-polluting technology.

EFFECTOR is motivated by recent work showing that for indoor light, OPVs are better matched to low-level indoor light spectra than Si-modules, and are non-toxic with respect to perovskites. OPVs are adaptable in flexibility and size to autonomous portable sensors and devices.Where to apply WebsiteRequirementsResearch Field Chemistry Education Level PhD or equivalentResearch Field Chemistry Education Level PhD or equivalentLanguages FRENCH Level BasicResearch Field Chemistry » Physical chemistry Years of Research Experience 1 – 4Research Field Chemistry » Computational chemistry Years of Research Experience 1 – 4Additional InformationEligibility criteria– PhD degree in Physical-Chemistry.
– Strong interest in Modelling and in material science and advanced organic and polymeric synthetic skills
-A double competence in modelling chemical reactivity and molecular dynamics is desired.
– Excellent communication skills (English)
-Good written report work will be required (English)
-the candidate should be familiar with environmental, health and safety (EHS) requirementsAdditional commentsAll applications must be submitted on the CNRS Employment Portal
For more information, please do not hesitate to contact . M. Roger Hiorns ( ) or M. Didier Begué ( )
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Work Location(s)Number of offers available 1 Company/Institute Institut des sciences analytiques et de physico-chimie pour l’environnement et les matériaux Country France City PAU GeofieldContact CityPAU WebsiteSTATUS: EXPIREDShare this page

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