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Understanding the copassivation effect of Cl and Se for CdTe grain boundaries

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journal contribution
posted on 06.08.2021, 08:22 authored by Akash Shah, Anthony P Nicholson, Thomas Fiducia, Ali AbbasAli Abbas, Ramesh Pandey, Junliang Liu, Chris Grovenor, Michael WallsMichael Walls, Walajabad S Sampath, Amit H Munshi
Chlorine passivation treatment of cadmium telluride (CdTe) solar cells improves device performance by assisting electron−hole carrier separation at CdTe grain boundaries. Further improvement in device efficiency is observed after alloying the CdTe absorber layer with selenium. High-resolution secondary ion mass spectroscopy (NanoSIMS) imaging has been used to determine the distribution of selenium and chlorine at the CdTe grain boundaries in a selenium-graded CdTe device. Atomistic modeling based on density functional theory (DFT-1/2) further reveals that the presence of selenium and chlorine at an exemplar (110)/(100) CdTe grain boundary passivates critical acceptor defects and leads to n-type inversion at the grain boundary. The defect state analysis provides an explanation for the band-bending effects observed in the energy band alignment results, thereby elucidating mechanisms for high efficiencies observed in Se-alloyed and Cl-passivated CdTe solar cells.

Funding

Corrosion and hydrogen pick-up mechanisms in zirconium nuclear fuel cladding alloys in active environments

Engineering and Physical Sciences Research Council

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History

School

  • Mechanical, Electrical and Manufacturing Engineering

Research Unit

  • Centre for Renewable Energy Systems Technology (CREST)

Published in

ACS Applied Materials & Interfaces

Volume

13

Issue

29

Pages

35086 - 35096

Publisher

American Chemical Society (ACS)

Version

AM (Accepted Manuscript)

Rights holder

© 2021 American Chemical Society

Publisher statement

This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Materials & Interfaces, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acsami.1c06587

Acceptance date

01/07/2021

Publication date

2021-07-15

Copyright date

2021

ISSN

1944-8244

eISSN

1944-8252

Language

en

Depositor

Prof Michael Walls. Deposit date: 5 August 2021