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PhD student position in neutron scattering studies of 2D hybrid organic-inorganic perovskites for energy applications.
4 months ago
We are looking for a highly motivated PhD student, which a background in physics, chemistry or materials science, who will develop new fundamental understanding of, so called, phosphors, for use in next-generation light-emitting diodes (LEDs).
Project description
Lighting stands for 16.5% of the world’s electricity consumption. Novel and energy efficient lighting is therefore needed to reduce the impact on the environment originating from this enormous energy consumption. Phosphor-converted LEDs have become mainstream for many lighting applications. Commercially used LED phosphors are inorganic crystals doped with rare-earth ions, but since the rare-earth elements belong to the EU critical raw materials, new lighting solutions are urgently needed. Several hybrid organic-inorganic perovskites (HOIPs), free from rare-earth ions, show visible luminescence, which has opened an opportunity to create LED devices based on phosphors that are composed of abundant chemicals. Additionally, some of these materials, especially two-dimensional (2D) variants, show broadband (almost white) luminescence, which is very attractive for applications in LEDs. Recent studies indicate that the white light emission is (in part) related to the materials’ dynamic properties, such as the rotational diffusional dynamics of the organic cations and/or vibrational dynamics of the underlying perovskite lattice, but the nature of dynamics remains to be elucidated.
This PhD project is focused on the investigation of organic cation dynamics in promising 2D HOIPs, with a view towards their application as white light emitting phosphors in phosphor-converted LEDs. The primary tools to this end will involve the use of neutron spectroscopy (inelastic and quasielastic neutron scattering, INS and QENS) at the ISIS Neutron and Muon Source in U.K. and optical spectroscopy at Chalmers University of Technology. Furthermore, the PhD student will perform first-principles calculations and ab initio molecular dynamics to investigate the structural, electronic (and photoluminescent), and dynamical properties of the 2D HOIPs, to compare with the experiments. In particular, machine learning force field (MLFF) will be exploited to study finite temperature properties such as phase transitions and to support the interpretation of the neutron data by extending the simulations to timescales probed by QENS. Additionally, the project will include the development and use of new data analysis tools for cutting-edge analysis of QENS data.
Information about the division and the department
The project will be conducted within the research group of Prof. Maths Karlsson at the , Chalmers University of Technology, Sweden. The group focuses on characterization of structure and dynamics in “functional” materials, with a view towards their implementation in energy-relevant technologies, such as LEDs, solar cells, batteries and fuel cells. The primary tools to this end involve the use and development of techniques at large-scale neutron and photon sources, vibrational spectroscopy, optical techniques, and computer modelling. Most of the work is carried out in close collaboration with other leading research groups, in Sweden and in many other countries. Of specific relevance here, this PhD student project is partly funded and connected to the at the ISIS Neutron and Muon Source at the Rutherford Appleton Laboratory in the U.K.
Major responsibilities
Your major responsibility will be to carry out the PhD project, as described briefly above. You are expected to develop your own scientific concepts and communicate the results of your research in a wide context, e.g., through meetings, seminars, national and international conferences, and in the form of informal reports, and peer-reviewed publications. As a PhD student, you will as well take courses corresponding to 60 ECTS and be involved in teaching on the undergraduate level corresponding to about 10% of your time.
