TY - JOUR
T1 - Enhancing the carrier thermalization time in organometallic perovskites by halide mixing
AU - Madjet, Mohamed El Amine
AU - Akimov, Alexey V.
AU - El-Mellouhi, Fadwa
AU - Berdiyorov, Golibjon R.
AU - Ashhab, Sahel
AU - Tabet, Nouar
AU - Kais, Sabre
N1 - Publisher Copyright:
© 2016 the Owner Societies.
PY - 2016
Y1 - 2016
N2 - Hybrid metal-organic halide perovskites have recently attracted a great deal of attention because of their interesting electronic, optical and transport properties, which make them promising materials for high-performance, low-cost solar cells. Fundamental understanding of the formation mechanisms and dynamics of photoinduced charge carriers is essential for improving the performance of perovskite solar cell devices. For example, a significant amount of absorbed solar energy is lost as a result of carrier thermalization. This energy could be harnessed by extracting hot carriers before they cool down to the band edges. Although such hot carrier collection is experimentally challenging, theoretical investigations based on time-dependent methods can guide future experimental research by providing insights into the thermalization process. Here, we perform ab initio nonadiabatic molecular dynamics simulations to study non-radiative relaxation dynamics of charge carriers in hybrid halide perovskites. We find that the carrier relaxation time can be considerably increased by mixing halogen atoms in the perovskite materials. These findings show that simple approaches could be adopted to slow down the thermalization process of hot carriers in perovskite materials.
AB - Hybrid metal-organic halide perovskites have recently attracted a great deal of attention because of their interesting electronic, optical and transport properties, which make them promising materials for high-performance, low-cost solar cells. Fundamental understanding of the formation mechanisms and dynamics of photoinduced charge carriers is essential for improving the performance of perovskite solar cell devices. For example, a significant amount of absorbed solar energy is lost as a result of carrier thermalization. This energy could be harnessed by extracting hot carriers before they cool down to the band edges. Although such hot carrier collection is experimentally challenging, theoretical investigations based on time-dependent methods can guide future experimental research by providing insights into the thermalization process. Here, we perform ab initio nonadiabatic molecular dynamics simulations to study non-radiative relaxation dynamics of charge carriers in hybrid halide perovskites. We find that the carrier relaxation time can be considerably increased by mixing halogen atoms in the perovskite materials. These findings show that simple approaches could be adopted to slow down the thermalization process of hot carriers in perovskite materials.
UR - http://www.scopus.com/inward/record.url?scp=84958213546&partnerID=8YFLogxK
U2 - 10.1039/c5cp06603d
DO - 10.1039/c5cp06603d
M3 - Article
AN - SCOPUS:84958213546
SN - 1463-9076
VL - 18
SP - 5219
EP - 5231
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 7
ER -