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Stability-limiting heterointerfaces of perovskite photovoltaics

Journal Article · · Nature (London)
 [1];  [2];  [3];  [4];  [5];  [6];  [2];  [5];  [5];  [7];  [2];  [5];  [2];  [7];  [2];  [2];  [5];  [6];  [5];  [5] more »;  [2] « less
  1. Univ. of California, Los Angeles, CA (United States); University of California, Los Angeles
  2. Univ. of California, Los Angeles, CA (United States)
  3. Marmara Univ., Istanbul (Turkey)
  4. Univ. of California, Los Angeles, CA (United States); Westlake Inst. for Advanced Study, Hangzhou (China)
  5. Sungkyunkwan Univ., Suwon (Korea, Republic of)
  6. Univ. of California, Irvine, CA (United States)
  7. Univ. of California, Los Angeles, CA (United States); National Yang Ming Chiao Tung Univ., Hsinchu (Taiwan)
+ Show Author Affiliations

Optoelectronic devices consist of heterointerfaces formed between dissimilar semiconducting materials. The relative energy level alignment between contacting semiconductors determinately affects the heterointerface charge injection and extraction dynamics. For perovskite solar cells (PSCs), the heterointerface between the top perovskite surface and a charge-transporting material (CTM) is often treated for defect passivation to improve PSC stability and performance. However, such surface treatments could also affect the heterointerface energetics. Here we show that surface treatments may induce a negative work function shift (i.e. more n-type), which activates halide migration to aggravate PSC instability. Therefore, despite the beneficial effects of surface passivation, this detrimental side effect limits the maximum stability improvement attainable for PSCs treated in these ways. Furthermore, this trade-off between the beneficial and detrimental effects should guide further work on improving PSC stability via surface treatments.

Research Organization:
Univ. of California, Los Angeles, CA (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
Grant/Contract Number:
EE0008751
OSTI ID:
1864592
Journal Information:
Nature (London), Journal Name: Nature (London) Journal Issue: 7909 Vol. 605; ISSN 0028-0836
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (8)

Reactive and Nonreactive Scattering of HCl from Au(111): An Ab Initio Molecular Dynamics Study journal January 2019
Density Functional Theory Study on the Nucleation and Growth of Ptn Clusters on γ-Al2O3(001) Surface journal July 2017
Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling journal October 2017
Thermodynamic Properties of Hydrogen-Producing Cobaloxime Catalysts: A Density Functional Theory Analysis journal January 2019
Baird’s Rule in Substituted Fulvene Derivatives: An Information-Theoretic Study on Triplet-State Aromaticity and Antiaromaticity journal December 2018
Performing the Millikan experiment at the molecular scale: Determination of atomic Millikan-Thomson charges by computationally measuring atomic forces journal September 2017
Comparison of Experimental and Calculated Ion Mobilities of Small Molecules in Air journal January 2016
Nitrous oxide as an effective AFM tip functionalization: a comparative study journal January 2019

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14 SOLAR ENERGY
Electronic devices
Solar cells
Surface chemistry