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This content will become publicly available on August 31, 2018

Title: Selection Metric for Photovoltaic Materials Screening Based on Detailed-Balance Analysis

The success of recently discovered absorber materials for photovoltaic applications has been generating increasing interest in systematic materials screening over the last years. However, the key for a successful materials screening is a suitable selection metric that goes beyond the Shockley-Queisser theory that determines the thermodynamic efficiency limit of an absorber material solely by its band-gap energy. Here, we develop a selection metric to quantify the potential photovoltaic efficiency of a material. Our approach is compatible with detailed balance and applicable in computational and experimental materials screening. We use the complex refractive index to calculate radiative and nonradiative efficiency limits and the respective optimal thickness in the high mobility limit. We also compare our model to the widely applied selection metric by Yu and Zunger [Phys. Rev. Lett. 108, 068701 (2012)] with respect to their dependence on thickness, internal luminescence quantum efficiency, and refractive index. Finally, the model is applied to complex refractive indices calculated via electronic structure theory.
 [1] ;  [2] ; ORCiD logo [3] ;  [1]
  1. Julich Research Centre (Germany). IEK5-Photovaltaics
  2. Julich Research Centre (Germany). IEK5-Photovaltaics; Univ. of Duisburg (Germany). Faculty of Engineering, CENIDE
  3. National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Report Number(s):
Journal ID: ISSN 2331-7019; PRAHB2
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Volume: 8; Journal Issue: 2; Journal ID: ISSN 2331-7019
American Physical Society (APS)
Research Org:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
14 SOLAR ENERGY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; optoelectronics; semiconductor physics
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1377989