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PhD position at Chalmers, Sweden (modeling of in ... (No replies)

julia.wiktor
1 year ago
julia.wiktor 1 year ago

A PhD position in modelling interfaces in solar cells and tunnel field-effect transistors is available at the Department of Physics of Chalmers University of Technology, Gothenburg, Sweden.

Searches for materials with specific properties are the bottlenecks of many emerging semiconductor technologies, such as quantum computing, electronics and solar energy conversion. Properties matching a desired function are key to the introduction of new technologies, but as development approaches final implementation, all components need to be tuned for a harmonious coexistence within a micro-device via doping, surface functionalization, nano-scale engineering, or other methods. From the point of view of first-principles modeling, a microdevice is a stack of functional layers (1, 2 or 3D, organic or inorganic), separated by interfaces - i.e. volumes within which the proximity or bonding between two neighboring materials influences the properties, and causes a deviation from the bulk state. The present project will focus on comprehensive modeling of various materials that are used in a solar cell, such as the photoabsorber (halide perovskite in particular), hole and electron transport layers, and their interfaces. Advanced electronic structure methods, hybrid functionals and ab-initio molecular dynamics simulations, as implemented in the ABINIT, QuantumEspresso or CP2K codes, will be used.

During the PhD project you will work on performing electronic structure calculations for materials used in a solar cell, such as the perovskite photoabsorber, hole and electron transport layers and their interfaces. You will investigate for instance the behavior of defects and excess charges in these material and study how their properties may change when the materials are put together in a single device. You will engage in collaborations with experimental groups. As part of the project, you will be expected to communicate research results both orally at international conferences and in writing in scientific journals. 

For more information about the positions, benefits, and the application procedure, visit:

https://www.chalmers.se/en/about-chalmers/work-with-us/vacancies/?rmpage=job&rmjob=11497&rmlang=UK

Additional inquiries can be send to Assoc. Prof. Julia Wiktor (julia.wikt[email protected])

Application deadline is March 24, 2023




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Ab initio (from electronic structure) calculation of complex processes in materials