A-Site Engineering with Thiophene-Based Ammonium for High-Efficiency 2D/3D Tin Halide Perovskite Solar Cells

Guitao Feng; Hok-Leung Loi; Tianyue Wang; Wenqiu Deng; Zhiqiang Guan; Qi Wei; Jiandong He; Mingjie Li; Chun-Sing Lee; Jizheng Wang; Qichun Zhang; Feng Yan

doi:10.1002/anie.202413584

A-Site Engineering with Thiophene-Based Ammonium for High-Efficiency 2D/3D Tin Halide Perovskite Solar Cells

Guitao Feng (Co-first Author)
, Hok-Leung Loi (Co-first Author)
, Tianyue Wang (Co-first Author)
, Wenqiu Deng
, Zhiqiang Guan
, Qi Wei
, Jiandong He
, Mingjie Li
, Chun-Sing Lee
, Jizheng Wang^*
, Qichun Zhang^*
, Feng Yan^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

31 Citations (Scopus)

17 Downloads (CityUHK Scholars)

Abstract

Tin halide perovskites are the most promising candidate materials for lead-free perovskite solar cells (PSCs) thanks to their low toxicity and ideal band gap energies. The introduction of 2D/3D mixed perovskite phases in tin-based PSCs (TPSCs) has proven to be the most effective approach to improving device efficiency and stability. However, a 2D perovskite phase normally shows relatively low carrier mobility, which will be unfavorable for carrier transfer in the devices. In this work, we used a thiophene-based cation 2-(thiophen-3-yl)ethan-1-aminium (3-TEA) as a spacer to form a novel 2D perovskite phase in TPSCs, which shows the most promising effect on the performance enhancement in comparison with other cations like 2-(thiophen-2-yl)ethan-1-aminium (2-TEA) and benzene-based 2-phenylethan-1-aminium (PEA). Theoretical calculations reveal that 3-TEA enables the most compact crystal packing of [SnI₆]⁴⁻ octahedral layers, resulting in the lowest hole effective mass and formation energy in the 2D phase. This effect significantly enhances device efficiency and stability by facilitating more efficient carrier transfer within the 2D phase. These findings indicate that thiophene-based 2D perovskites are well-suited for high-performance TPSCs. © 2024 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.

Original language	English
Article number	e202413584
Journal	Angewandte Chemie International Edition
Volume	64
Issue number	1
Online published	15 Oct 2024
DOIs	https://doi.org/10.1002/anie.202413584
Publication status	Published - 2 Jan 2025

Funding

This work is jointly supported by the Research Grants Council of Hong Kong, China (Project No. 15306822 and C1009-17EF) and the Hong Kong Polytechnic University, Hong Kong, China (ZE2X). This work is also supported by Shenzhen Science and Technology Innovation Commission (Project No. SGDX20210823103401011). The authors appreciate the financial support from the Hong Kong Scholars Program (Grant No. XJ2020051) and The RGC Postdoctoral Fellowship Scheme (RGC Ref. No. PDFS2324-5S03).

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Research Keywords

2D spacer
lead-free
perovskite
solar cell
thiophene

Publisher's Copyright Statement

This full text is made available under CC-BY 4.0. https://creativecommons.org/licenses/by/4.0/

RGC Funding Information

RGC-funded

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10.1002/anie.202413584

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title = "A-Site Engineering with Thiophene-Based Ammonium for High-Efficiency 2D/3D Tin Halide Perovskite Solar Cells",

abstract = "Tin halide perovskites are the most promising candidate materials for lead-free perovskite solar cells (PSCs) thanks to their low toxicity and ideal band gap energies. The introduction of 2D/3D mixed perovskite phases in tin-based PSCs (TPSCs) has proven to be the most effective approach to improving device efficiency and stability. However, a 2D perovskite phase normally shows relatively low carrier mobility, which will be unfavorable for carrier transfer in the devices. In this work, we used a thiophene-based cation 2-(thiophen-3-yl)ethan-1-aminium (3-TEA) as a spacer to form a novel 2D perovskite phase in TPSCs, which shows the most promising effect on the performance enhancement in comparison with other cations like 2-(thiophen-2-yl)ethan-1-aminium (2-TEA) and benzene-based 2-phenylethan-1-aminium (PEA). Theoretical calculations reveal that 3-TEA enables the most compact crystal packing of [SnI6]4− octahedral layers, resulting in the lowest hole effective mass and formation energy in the 2D phase. This effect significantly enhances device efficiency and stability by facilitating more efficient carrier transfer within the 2D phase. These findings indicate that thiophene-based 2D perovskites are well-suited for high-performance TPSCs. {\textcopyright} 2024 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.",

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author = "Guitao Feng and Hok-Leung Loi and Tianyue Wang and Wenqiu Deng and Zhiqiang Guan and Qi Wei and Jiandong He and Mingjie Li and Chun-Sing Lee and Jizheng Wang and Qichun Zhang and Feng Yan",

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A-Site Engineering with Thiophene-Based Ammonium for High-Efficiency 2D/3D Tin Halide Perovskite Solar Cells. / Feng, Guitao (Co-first Author); Loi, Hok-Leung (Co-first Author); Wang, Tianyue (Co-first Author) et al.
In: Angewandte Chemie International Edition, Vol. 64, No. 1, e202413584, 02.01.2025.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

TY - JOUR

T1 - A-Site Engineering with Thiophene-Based Ammonium for High-Efficiency 2D/3D Tin Halide Perovskite Solar Cells

AU - Feng, Guitao

AU - Loi, Hok-Leung

AU - Wang, Tianyue

AU - Deng, Wenqiu

AU - Guan, Zhiqiang

AU - Wei, Qi

AU - He, Jiandong

AU - Li, Mingjie

AU - Lee, Chun-Sing

AU - Wang, Jizheng

AU - Zhang, Qichun

AU - Yan, Feng

PY - 2025/1/2

Y1 - 2025/1/2

N2 - Tin halide perovskites are the most promising candidate materials for lead-free perovskite solar cells (PSCs) thanks to their low toxicity and ideal band gap energies. The introduction of 2D/3D mixed perovskite phases in tin-based PSCs (TPSCs) has proven to be the most effective approach to improving device efficiency and stability. However, a 2D perovskite phase normally shows relatively low carrier mobility, which will be unfavorable for carrier transfer in the devices. In this work, we used a thiophene-based cation 2-(thiophen-3-yl)ethan-1-aminium (3-TEA) as a spacer to form a novel 2D perovskite phase in TPSCs, which shows the most promising effect on the performance enhancement in comparison with other cations like 2-(thiophen-2-yl)ethan-1-aminium (2-TEA) and benzene-based 2-phenylethan-1-aminium (PEA). Theoretical calculations reveal that 3-TEA enables the most compact crystal packing of [SnI6]4− octahedral layers, resulting in the lowest hole effective mass and formation energy in the 2D phase. This effect significantly enhances device efficiency and stability by facilitating more efficient carrier transfer within the 2D phase. These findings indicate that thiophene-based 2D perovskites are well-suited for high-performance TPSCs. © 2024 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.

AB - Tin halide perovskites are the most promising candidate materials for lead-free perovskite solar cells (PSCs) thanks to their low toxicity and ideal band gap energies. The introduction of 2D/3D mixed perovskite phases in tin-based PSCs (TPSCs) has proven to be the most effective approach to improving device efficiency and stability. However, a 2D perovskite phase normally shows relatively low carrier mobility, which will be unfavorable for carrier transfer in the devices. In this work, we used a thiophene-based cation 2-(thiophen-3-yl)ethan-1-aminium (3-TEA) as a spacer to form a novel 2D perovskite phase in TPSCs, which shows the most promising effect on the performance enhancement in comparison with other cations like 2-(thiophen-2-yl)ethan-1-aminium (2-TEA) and benzene-based 2-phenylethan-1-aminium (PEA). Theoretical calculations reveal that 3-TEA enables the most compact crystal packing of [SnI6]4− octahedral layers, resulting in the lowest hole effective mass and formation energy in the 2D phase. This effect significantly enhances device efficiency and stability by facilitating more efficient carrier transfer within the 2D phase. These findings indicate that thiophene-based 2D perovskites are well-suited for high-performance TPSCs. © 2024 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.

KW - 2D spacer

KW - lead-free

KW - perovskite

KW - solar cell

KW - thiophene

UR - https://www.scopus.com/pages/publications/85208991738

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U2 - 10.1002/anie.202413584

DO - 10.1002/anie.202413584

M3 - RGC 21 - Publication in refereed journal

SN - 1433-7851

VL - 64

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

IS - 1

M1 - e202413584

ER -

A-Site Engineering with Thiophene-Based Ammonium for High-Efficiency 2D/3D Tin Halide Perovskite Solar Cells

Abstract

Funding

UN SDGs

Research Keywords

Publisher's Copyright Statement

RGC Funding Information

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