skip to main content

SciTech ConnectSciTech Connect

Title: First-principles study of roles of Cu and Cl in polycrystalline CdTe

Cu and Cl treatments are important processes to achieve high efficiency polycrystalline cadmium telluride (CdTe) solar cells, thus it will be beneficial to understand the roles they play in both bulk CdTe and CdTe grain boundaries (GBs). Using first-principles calculations, we systematically study Cu and Cl-related defects in bulk CdTe. We find that Cl has only a limited effect on improving p-type doping and too much Cl can induce deep traps in bulk CdTe, whereas Cu can enhance p-type doping of bulk CdTe. In the presence of GBs, we find that, in general, Cl and Cu will prefer to stay at GBs, especially for those with Te-Te wrong bonds, in agreement with experimental observations.
Authors:
; ;  [1] ;  [1] ;  [2] ;  [1] ;  [2]
  1. National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)
  2. (China)
Publication Date:
OSTI Identifier:
22494953
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 119; Journal Issue: 4; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CADMIUM TELLURIDES; EFFICIENCY; GRAIN BOUNDARIES; POLYCRYSTALS; SOLAR CELLS; TRAPS