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P-N junction

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A p-n junction is formed when p-type and n-type semiconductor materials are joined together. At the interface of the p-n junction, holes from the p-side and electrons from the n-side begin to diffuse into the opposite sides due to the concentration gradient. This diffusion of carriers leads to a region around the junction where there are no free charge carriers, known as the depletion region. The charge density within the depletion region for the n-side and p-side can be described by the...

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Monovalent Cation Doping of CH3NH3PbI3 for Efficient Perovskite Solar Cells

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Triple-Functional Hydrazide-Based Modifier for Self-Assembled Monolayers/Perovskite to Obtain 26.29%-Efficiency

Hanye Wang¹, Yong Li¹, Yan Cai¹

¹Key Laboratory of Applied Surface and Colloid Chemistry, Ministry of Education, Shaanxi Key Laboratory for Advanced Energy Devices, Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering, Shaanxi Normal University, Xi'an, 710119, China.

Angewandte Chemie (International Ed. in English)

|January 14, 2026

Summary

This study introduces 4-(methylthio)benzhydrazide (MTBH) to improve perovskite solar cells (PSCs). MTBH enhances hole-transport layer uniformity and passivates defects, boosting PSC efficiency and stability.

Keywords:

4‐(methylthio)benzhydrazide Co‐assembly material FACsPbI3 Inverted perovskite solar cells Self‐assembled molecules

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Area of Science:

Materials Science
Renewable Energy
Photovoltaics

Background:

Inverted perovskite solar cells (PSCs) suffer from non-uniform hole-transport layers (HTLs) and defects at buried interfaces.
These limitations hinder the efficiency and stability of PSC devices.

Purpose of the Study:

To develop a novel triple-functional modifier, 4-(methylthio)benzhydrazide (MTBH), for self-assembled monolayers (SAMs)/perovskite interfaces.
To enhance the performance and stability of inverted PSCs by optimizing HTL uniformity and passivating perovskite defects.

Main Methods:

Utilized MTBH as a modifier for [4-(3,6-dimethyl-9H-carbazol-9-yl)butyl]phosphonic acid (Me-4PACz) SAMs.
Investigated ternary synergistic interactions: P═O→S-C coordination, N─H⋯I^- hydrogen bonding, and C═O→Pb²⁺ coordination.
Analyzed perovskite crystallization kinetics, film quality, residual stress, and grain-boundary defects.

Main Results:

MTBH improved SAMs ordering and energy-level alignment, passivated iodine vacancies and lead defects.
Achieved high-quality perovskite films with reduced residual stress (18.0 MPa vs. 60.1 MPa) and suppressed grain-boundary defects.
MTBH-incorporated PSCs reached a champion power conversion efficiency (PCE) of 26.29% with enhanced open-circuit voltage (V_OC) and fill factor (FF).

Conclusions:

MTBH effectively addresses HTL uniformity and defect passivation challenges in inverted PSCs.
The synergistic interactions induced by MTBH lead to superior perovskite film quality and device performance.
MTBH-modified PSCs demonstrate remarkable operational stability, retaining high PCE after prolonged testing in ambient air and under maximum power point tracking.