Iodine chemistry determines the defect tolerance of lead-halide perovskites

2018 ◽  
Vol 11 (3) ◽  
pp. 702-713 ◽  
Author(s):  
Daniele Meggiolaro ◽  
Silvia G. Motti ◽  
Edoardo Mosconi ◽  
Alex J. Barker ◽  
James Ball ◽  
...  
Keyword(s):  
Defect Tolerance ◽  
Electron Hole ◽  
Halide Perovskites ◽  
Iodine Chemistry ◽  
Lead Halide

Electron/hole traps related to interstitial iodine defects show the typical features of iodine photo-electrochemistry, inducing MAPbI3 defect tolerance.

Enhancing Defect Tolerance with Ligands at the Surface of Lead Halide Perovskites

2021 ◽  
pp. 6299-6304
Author(s):  
Tyler J. Smart ◽  
Hiroyuki Takenaka ◽  
Tuan Anh Pham ◽  
Liang Z. Tan ◽  
Jin Z. Zhang ◽  
...  
Keyword(s):  
Defect Tolerance ◽  
Halide Perovskites ◽  
Lead Halide

scholarly journals Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination

2020 ◽  
Vol 6 (7) ◽  
pp. eaaw7453 ◽  
Author(s):  
Weibin Chu ◽  
Qijing Zheng ◽  
Oleg V. Prezhdo ◽  
Jin Zhao ◽  
Wissam A. Saidi
Keyword(s):  
Low Cost ◽  
Low Frequency ◽  
Nonradiative Recombination ◽  
Defect Tolerance ◽  
Electron Hole ◽  
Surface Hopping ◽  
Recombination Processes ◽  
Halide Perovskites ◽  
Electron And Hole States ◽  
Hole Recombination

Low-cost solution-based synthesis of metal halide perovskites (MHPs) invariably introduces defects in the system, which could form Shockley-Read-Hall (SRH) electron-hole recombination centers detrimental to solar conversion efficiency. Here, we investigate the nonradiative recombination processes due to native point defects in methylammonium lead halide (MAPbI3) perovskites using ab initio nonadiabatic molecular dynamics within surface-hopping framework. Regardless of whether the defects introduce a shallow or deep band state, we find that charge recombination in MAPbI3 is not enhanced, contrary to predictions from SRH theory. We demonstrate that this strong tolerance against defects, and hence the breakdown of SRH, arises because the photogenerated carriers are only coupled with low-frequency phonons and electron and hole states overlap weakly. Both factors appreciably decrease the nonadiabatic coupling. We argue that the soft nature of the inorganic lattice with small bulk modulus is key for defect tolerance, and hence, the findings are general to other MHPs.

Atomistic Origin of Lattice Softness and Its Impact on Structural and Carrier Dynamics in Three Dimensional Perovskites

2022 ◽  
Author(s):  
Zhendong Guo ◽  
Jing Wang ◽  
Wanjian Yin
Keyword(s):  
Material Properties ◽  
Three Dimensional ◽  
Carrier Dynamics ◽  
Defect Tolerance ◽  
Anharmonic Vibration ◽  
Unique Material ◽  
Halide Perovskites ◽  
Polaron Formation ◽  
Lead Halide

The soft lattices of lead-halide perovskites (LHPs) are responsible for their unique material properties, including polaron formation, defect tolerance, anharmonic vibration, and large electrostrictive response, which result in exotic carrier...

scholarly journals Impact of microstructure on the electron–hole interaction in lead halide perovskites

2017 ◽  
Vol 10 (6) ◽  
pp. 1358-1366 ◽  
Author(s):  
Arman Mahboubi Soufiani ◽  
Zhuo Yang ◽  
Trevor Young ◽  
Atsuhiko Miyata ◽  
Alessandro Surrente ◽  
...  
Keyword(s):  
Grain Size ◽  
Electron Hole ◽  
Halide Perovskites ◽  
Lead Halide ◽  
Hole Interaction

The authors directly show that grain size and quality have a negligible impact on the excitonic characteristics of perovskite semiconductors.

scholarly journals Defect tolerant device geometries for lead-halide perovskites

2021 ◽  
Author(s):  
Basita Das ◽  
Zhifa Liu ◽  
Irene Aguilera ◽  
Uwe Rau ◽  
Thomas Kirchartz
Keyword(s):  
Thin Films ◽  
Defect Tolerance ◽  
Solution Processed ◽  
Radiative Lifetimes ◽  
Polycrystalline Thin Films ◽  
Halide Perovskites ◽  
Lead Halide

The term defect tolerance is widely used in literature to describe materials such as lead-halides perovskites, where solution-processed polycrystalline thin films exhibit long non-radiative lifetimes of microseconds or longer. Studies...

scholarly journals Role of microstructure in the electron–hole interaction of hybrid lead halide perovskites

2015 ◽  
Vol 9 (10) ◽  
pp. 695-701 ◽  
Author(s):  
Giulia Grancini ◽  
Ajay Ram Srimath Kandada ◽  
Jarvist M. Frost ◽  
Alex J. Barker ◽  
Michele De Bastiani ◽  
...  
Keyword(s):  
Electron Hole ◽  
Halide Perovskites ◽  
Lead Halide ◽  
Hole Interaction

Defect tolerance in CsPbI3: Reconstruction of potential energy landscape and band degeneracy in spin-orbit coupling

2022 ◽  
Author(s):  
Chen Ming ◽  
Han Wang ◽  
Damien West ◽  
Shengbai Zhang ◽  
Yi-Yang Sun
Keyword(s):  
Potential Energy ◽  
High Performance ◽  
Energy Landscape ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Defect Tolerance ◽  
Optoelectronic Materials ◽  
Potential Energy Landscape ◽  
Halide Perovskites ◽  
Lead Halide

Lead halide perovskites have been intensively developed to be high-performance photovoltaic and optoelectronic materials, where the unique defect tolerance property is believed to contribute to their excellence. However, the defect...

scholarly journals How far does the defect tolerance of lead-halide perovskites range? The example of Bi impurities introducing efficient recombination centers

2019 ◽  
Vol 7 (41) ◽  
pp. 23838-23853 ◽  
Author(s):  
Mozhgan Yavari ◽  
Firouzeh Ebadi ◽  
Simone Meloni ◽  
Zi Shuai Wang ◽  
Terry Chien-Jen Yang ◽  
...  
Keyword(s):  
Density Of States ◽  
Theoretical Study ◽  
Photovoltaic Performance ◽  
Surface Photovoltage ◽  
Defect Tolerance ◽  
Recombination Centers ◽  
Halide Perovskites ◽  
Lead Halide ◽  
Deep Defects

Experimental and theoretical study on the effect of shallow and deep defects on photovoltaic performance, luminescence, surface photovoltage, and density of states.

THERMAL TRANSPORT BEHAVIORS IN LEAD HALIDE PEROVSKITES

2018 ◽  
Author(s):  
Wee-Liat Ong ◽  
Giselle Elbaz ◽  
Evan A. Doud ◽  
Philip Kim ◽  
Daniel Paley ◽  
...  
Keyword(s):  
Thermal Transport ◽  
Halide Perovskites ◽  
Lead Halide
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