Molecular Dipole Buffer Layer Enabling Compact Interfaces in Perovskite Solar Cells

Despite advances in p-i-n perovskite solar cells, interfacial losses between the electron transport layer (ETL) and metal electrode remain a bottleneck for efficiency and stability. Bathocuproine (BCP), a common buffer layer, suffers from poor film uniformity, low electron mobility, and limited thermal stability. Here, we report BTI-N, a D-A-D-type small molecule featuring a benzo-[c]-[1,2,5]-thiadiazole core and polar N,N-dimethylamino groups. BTI-N exhibits favorable molecular packing and solubility, enabling compact, uniform films with efficient electron transport. The polar termini anchor Ag electrodes via Ag-N dipole formation, lowering the work function and improving band alignment and charge extraction. BTI-N also suppresses Ag and I ion diffusion, significantly enhancing thermal stability. We demonstrate broad compatibility across ETLs (C<sub>60</sub>, PCBM), electrodes (Ag, Au), and perovskites with bandgaps from 1.58 to 1.7 eV. This work provides a practical interface engineering strategy to replace BCP and realize high-performance, stable perovskite solar cells.

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Publication Details

Journal
ACS Energy Letters
Published
2025-09-03
DOI
https://doi.org/10.1021/acsenergylett.5c02004
Citations
2
Primary Topic
Perovskite Materials and Applications
Type
article
Field-Weighted Citation Impact
1.46

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article

Molecular Dipole Buffer Layer Enabling Compact Interfaces in Perovskite Solar Cells

Weidong Xu, Chieh‐Szu Huang, Yoomi Ahn, Eunhye Yang et al.
2 citations
ACS Energy Letters
Perovskite Materials and Applications
1.46
article

Molecular Dipole Buffer Layer Enabling Compact Interfaces in Perovskite Solar Cells

Weidong Xu, Chieh‐Szu Huang, Yoomi Ahn, Eunhye Yang, Danbi Kim, Sung Heum Park, Samuel D. Stranks, Eui Dae Jung, Bo Ram Lee, L. Meng, Hongsuk Suh, Yang Lu
article en
2 citations

Abstract

Despite advances in p-i-n perovskite solar cells, interfacial losses between the electron transport layer (ETL) and metal electrode remain a bottleneck for efficiency and stability. Bathocuproine (BCP), a common buffer layer, suffers from poor film uniformity, low electron mobility, and limited thermal stability. Here, we report BTI-N, a D-A-D-type small molecule featuring a benzo-[c]-[1,2,5]-thiadiazole core and polar N,N-dimethylamino groups. BTI-N exhibits favorable molecular packing and solubility, enabling compact, uniform films with efficient electron transport. The polar termini anchor Ag electrodes via Ag-N dipole formation, lowering the work function and improving band alignment and charge extraction. BTI-N also suppresses Ag and I ion diffusion, significantly enhancing thermal stability. We demonstrate broad compatibility across ETLs (C<sub>60</sub>, PCBM), electrodes (Ag, Au), and perovskites with bandgaps from 1.58 to 1.7 eV. This work provides a practical interface engineering strategy to replace BCP and realize high-performance, stable perovskite solar cells.

ACS Energy LettersVol. 10(9)
National University of Singapore (SG), University of Cambridge (GB), Université Bourgogne Franche-Comté (FR), Pusan National University (KR), Sungkyunkwan University (KR), Pukyong National University (KR)
Royal Society, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Sungkyunkwan University, Korea Research Institute of Chemical Technology, National Research Foundation of Korea, Tata Sons, Samsung, Engineering and Physical Sciences Research Council
Openalex Percentile: Top 15%
Perovskite Materials and Applications
1.46
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