Imperial College London
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Professor Peter Haynes

Central Faculty, Office of the Provost

Vice-Provost (Education and Student Experience)
 
 
 
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Contact

 

p.haynes Website

 
 
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Assistant

 

Mrs Anushka Patel +44 (0)20 7594 6070

 
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Location

 

409Faculty BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Warwick:2019:10.1021/acs.jpclett.9b00202,
author = {Warwick, AR and Iniguez, J and Haynes, PD and Bristowe, NC},
doi = {10.1021/acs.jpclett.9b00202},
journal = {Journal of Physical Chemistry Letters},
pages = {1416--1421},
title = {First-principles study of ferroelastic twins in halide perovskites},
url = {http://dx.doi.org/10.1021/acs.jpclett.9b00202},
volume = {10},
year = {2019}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - We present an ab initio simulation of 90° ferroelastic twins that were recently observed in methylammonium lead iodide. There are two inequivalent types of 90° walls that we calculate to act as either electron or hole sinks, which leads us to propose a mechanism for enhancing charge carrier separation in photovoltaic devices. Despite separating nonpolar domains, we show these walls to have a substantial in-plane polarization of ∼6 μCcm–2, due in part to flexoelectricity. We suggest this in turn could allow for the photoferroic effect and create efficient pathways for photocurrents within the wall.
AU  - Warwick,AR
AU  - Iniguez,J
AU  - Haynes,PD
AU  - Bristowe,NC
DO  - 10.1021/acs.jpclett.9b00202
EP  - 1421
PY  - 2019///
SN  - 1948-7185
SP  - 1416
TI  - First-principles study of ferroelastic twins in halide perovskites
T2  - Journal of Physical Chemistry Letters
UR  - http://dx.doi.org/10.1021/acs.jpclett.9b00202
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000463678800039&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - http://hdl.handle.net/10044/1/71457
VL  - 10
ER  -
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