Improving energy level alignment by adenine for efficient and stable perovskite solar cells

Lisha XIE, Zhiyuan CAO, Jianwei WANG, Aili WANG, Shurong WANG, Yuying CUI, Yong XIANG, Xiaobin NIU, Feng HAO, Liming DING*

*Corresponding author for this work

Research output: Journal PublicationsJournal Article (refereed)peer-review

63 Citations (Scopus)


NiOx has been widely used as inorganic hole-transport layers (HTLs) in highly efficient hybrid perovskite solar cells (PSCs), however, the solution deposition usually induces pinhole and poor contact with perovskite. In this work, a small organic molecule adenine was used as surface modifier on NiOx substrate for the energy level modulation. After coating adenine, a 0.1 eV energy level drop for NiOx HTL, a higher crystallinity and larger grain size of perovskite layer, and an accelerated charge transport and extraction for device were achieved. Density functional theory (DFT) calculations also confirmed that the crystal structure of perovskite on NiOx/adenine substrate was more stable. These benefits enable a higher open-circuit voltage (Voc) and short-circuit current density (Jsc) in the corresponding devices with significantly enhanced moisture and light stability. Our work provides a novel strategy for modulation of energy level alignment between HTL and perovskites in related photovoltaic and other optoelectronic devices.

Original languageEnglish
Article number104846
Number of pages9
JournalNano Energy
Early online date22 Apr 2020
Publication statusPublished - Aug 2020
Externally publishedYes

Bibliographical note

This work was financially supported by the National Natural Science Foundation of China NSFC (51702038) and the Recruitment Program for Young Professionals. L. Ding thanks the National Key Research and Development Program of China (2017YFA0206600) and the National Natural Science Foundation of China (51773045, 21772030, 51922032, 21961160720) for financial support. We thank Prof. Qinye Bao from East China Normal University for the UPS measurements and fruitful discussions.


  • Crystallinity
  • Hole transport layer
  • Interface engineering
  • Perovskite
  • Stability


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