The Nature of Electron Mobility in Hybrid Perovskite CH3 NH3 PbI3

Nano Letters
Jie Ma, Lin-Wang Wang

Abstract

CH3NH3PbI3 is one of the most promising candidates for cheap and high-efficiency solar cells. One of its unique features is the long carrier diffusion length (>100 μm), but its carrier mobility is rather modest. The nature of the mobility is unclear. Here, using nonadiabatic wave function dynamics simulations, we show that the random rotations of the CH3NH3 cations play an important role in the carrier mobility. Our previous work showed that the electron and hole wave functions were localized and spatially separated due to the random orientations of the CH3NH3 cations in the tetragonal phase. We find that the localized carriers are able to conduct random walks due to the electrostatic potential fluctuation caused by the CH3NH3 random rotations. The calculated electron mobilities are in the experimentally measured range. We thus conclude that the carrier mobility of CH3NH3PbI3 is likely driven by the dynamic disorder that causes the fluctuation of the electrostatic potential.

References

Apr 16, 2009·Journal of the American Chemical Society·Akihiro KojimaTsutomu Miyasaka
Sep 8, 2011·Nanoscale·Jeong-Hyeok ImNam-Gyu Park
Apr 2, 2014·Nano Letters·Jarvist M FrostAron Walsh
Apr 24, 2014·Advanced Materials·Christian WehrenfennigLaura M Herz
Dec 17, 2014·Angewandte Chemie·Aron WalshSu-Huai Wei
Mar 15, 2015·Physical Chemistry Chemical Physics : PCCP·Claudio QuartiFilippo De Angelis
Apr 10, 2015·Physical Chemistry Chemical Physics : PCCP·Youwei WangWenqing Zhang
Apr 29, 2015·Nature Communications·Carlo MottaStefano Sanvito
May 30, 2015·Nature Communications·Aurelien M A LeguyPiers R F Barnes
Aug 12, 2015·The Journal of Physical Chemistry Letters·Zhen FanJohn Wang
Aug 19, 2015·The Journal of Physical Chemistry Letters·Tom J SavenijeVilly Sundström
Nov 10, 2015·Physical Chemistry Chemical Physics : PCCP·Tianran ChenSeung-Hun Lee
Nov 18, 2015·The Journal of Physical Chemistry Letters·X-Y Zhu, V Podzorov
Dec 1, 2015·The Journal of Physical Chemistry Letters·Melike KarakusEnrique Canovas
Dec 4, 2015·The Journal of Physical Chemistry Letters·Thomas M BrennerDavid Cahen
Jan 2, 2016·The Journal of Physical Chemistry Letters·Artem A BakulinThomas L C Jansen
Feb 16, 2016·Accounts of Chemical Research·David A EggerLeeor Kronik
May 18, 2016·Advanced Materials·Hee Taek YiVitaly Podzorov

❮ Previous
Next ❯

Citations

Jul 20, 2018·Physical Chemistry Chemical Physics : PCCP·Alessandro SenocrateJoachim Maier
Oct 30, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Brendan Smith, Alexey V Akimov
Aug 13, 2020·Nature Communications·Mohammad Sajedi AlvarGert-Jan A H Wetzelaer
Jan 16, 2021·Journal of Chemical Theory and Computation·Brendan SmithAlexey V Akimov
Jul 14, 2020·The Journal of Physical Chemistry Letters·Cunming LiuXiaoyi Zhang
Dec 17, 2021·The Journal of Physical Chemistry Letters·Alexey V Akimov

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.