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Information for Chinese students

Information for Chinese students from China Scholarship Council

Quantum Design of Materials for Solar Cells


The Quantum Calculation Group (Grupo de Cálculos Cuánticos) of “Universidad Politécnica de Madrid” is a research group that works to predicts advanced materials for efficient solar cells. Theoretical designs based in Density Functional Theory (DFT) and more advanced calculations like HSE and Many Body theory (GW) to describe and predict electronic structures and related optoelectronic properties of advanced photovoltaic materials are included in a general approach of our work

One of the main characteristics of these advanced materials is the exhibition of an intermediate band (IB) inside the band-gap of the host semiconductor which allows the absorption of low energy photons that increases efficiency. This narrow and partially filled IB is formed by doping a semiconductor over the Mott limit which corresponds with a high doping proportion. 


Main topics of research are the following:

  • Prediction of efficient new material by electronic properties description.
  • Optical absorption characterization of novel materials.   
  • Thermodynamic properties of the predicted materials by the configurational and  vibrational contributions. 

PhD opportunities:

Our research lines have a multidisciplinar character, where areas such as material science, chemistry or physics are involved. There are possibilities for Ph.D. Students in several areas (Material Science, engineering, physics, chemistry, etc) as long as they are interested in quantum calculations of novel materials with improved solar efficiencies, like derived of Chalcopyrites, Spinels-type, Hybrid Perovskites, etc….

The group of Quantum Calculations of Material for Solar Cells is a research group formed by people belongs to the Instituto de Energía Solar (IES) which are located in the ETSI Telecomunicación.

If you want more information about our activities and what you could do here, please send an email to perla[at] or pablo.palacios[at]

For administrative information, contact China Scholarship Council