One PhD-position in Theoretical/Computational Chemistry/Physics

Within the project “Up and Hot: Breaking the Shockley–Queisser limit”, one PhD position is available at the University of Groningen (the Netherlands). The aim of the project is to develop fundamental insight required to break the Shockley-Queisser limit for solar cell efficiency, which is currently a topic of great interest in the Physical Chemistry community. The PhD student will be enrolled in the Groningen Graduate School of Science.

Requirements

§ You are highly motivated and an enthusiastic researcher
§ You have a MSc degree in Physical Chemistry, Physics, Chemistry or equivalent
§ You have a keen interest in fundamental Physical Chemistry research
§ You have excellent analytical skills and a keen interest in the interpretation of complex data§ You have strong theoretical skills and interest in programming
§ You are fluent in English

Position 1: “ Modelling upconversion in coupled antenna nanoparticle systems”

The main goals of this project are to provide the theory required for the design of new antenna systems that are able to perform upconversion with high efficiency. Important parameters to study are, amongst others, the energy levels of singlet and triplet excited states of the antenna and nanoparticle, the potential energy surfaces of ground and excited states, and the couplings between antennas and between antenna and nanoparticles for efficient energy transfer. The ground and excited state properties of the nanoparticles will also studied as a function of the size of the nanoparticles, in order to engineer the energy levels.

This will be a combined static and dynamic study: for the exploration of potential energy surfaces classical and ab initio molecular dynamics simulations will be performed. These simulations provide insight into the mobility and surface density of the antennas with respect to the nanoparticle and will answer questions concerning dynamical effects of the antennas and the surface of the nanoparticle. Different conformations from these simulations will be selected for further study using static quantum chemical calculations.

Excitation energies and intermolecular couplings parametrized from ab initio calculations on the antenna molecules using monomers and dimers will be used to construct Frenkel exciton Hamiltonians. These will be used to calculate the absorption spectra of the antenna systems and the transport properties of the excitons from the antenna towards the nanoparticle.

The PhD student will gain experience in the use of ab initio, DFT, and semi-empirical methods, exciton theory, programming, spectral modelling, and soft academic skills. The position will be embedded within the Theory of Condensed Matter group (https://www.rug.nl/research/zernike/theory-of-condensed-matter/) and the (Bio- )Organic Materials and Devices group (Quantum Chemistry, https://www.rug.nl/research/quantum- chemistry/havenith-group/).

Our offer

• §  Successful candidates will first be offered a temporary position of 1 year with the option of renewal for another 3 years, with a qualifier in the 1st year

• §  Salary ranging from € 2.266,- gross at the start to € 2.897,- gross in the 4th year (salary and conditions are in accordance with the collective labor agreement for Dutch universities)

• §  Excellent benefits including a holiday allowance of 8% of the gross annual salary and a year-end bonus of 8.3% and a solid pension scheme

• §  Stimulating scientific environment with enthusiastic colleagues

• §  A training program in which you and your supervisors will make up a plan for additional suitable education

  and supervision

• §  A high degree of responsibility and independence, but also stimulate interaction and discussion with

  colleagues

• §  Exciting teaching opportunities (up to ca. 10% of the time)

  Information and application

  Please send your application including an application/motivation letter, emphasizing your specific interest and motivation to apply for this position, a detailed CV, contact details of at least 2 referees, an academic transcript of B.Sc. and M.Sc. education and a TOEFL or IELTS score to veridy sufficient mastering of the English language. An interview will be part of the selection procedure. 

   

  Send the application package to:
  Thomas la Cour Jansen ([email protected]) and Remco Havenith ([email protected]) Review of applications will start 1st of October.