Reducing Energetic Disorder for High‐Efficiency Perovskite Solar Cells with Low Urbach Energy by in Situ NH <sub>3</sub> Generation

C Chuanzhen Shang (State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China) D Duo Qu (State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China) Z Zheng Bao (Beijing Solarverse Optoelectronic Technology Co., Ltd Beijing 100176 China) C Chenyun Wang (State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China) Q Qiangqiang Zhao C Chunsheng Li (Key Laboratory of Forest Plant Ecology, Ministry of Education, College of Chemistry, Chemical Engineering and Resource Utilization) B Bin Zhou X Xuemeng Wang (Center for Cell Structure and Function, Shandong Provincial Key Laboratory of Animal Resistance Biology, Collaborative Innovation Center of Cell Biology in Universities of Shandong, Department of Biochemistry and Molecular Biology, College of Life Sciences, Shandong Normal University) R Ruilin Han (State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China) S Shasha Wang W Wenying Zhao (State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China) K Kai Wang J Jiangang Liu X Xiaoyu Yang Z Zhang Lan (Engineering Research Center of Environment‐Friendly Functional Materials Ministry of Education Fujian Provincial Key Laboratory of Photoelectric Functional Materials Institute of Materials Physical Chemistry Huaqiao University Xiamen 361021 China) J Jiang Wu W Weidong Xu (University of Cambridge , , ,) J Jihuai Wu (Engineering Research Center of Environment‐Friendly Functional Materials Ministry of Education Fujian Provincial Key Laboratory of Photoelectric Functional Materials Institute of Materials Physical Chemistry Huaqiao University Xiamen 361021 China) R Rui Zhu Y Yongguang Tu (State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China)

Abstract

Abstract The high disorder in perovskite materials leads to severe carrier non‐radiative recombination, which directly determines the energy loss of photovoltaic devices. Currently, modulation of energetic disorder in perovskite solar cells and its correlation with open‐circuit voltage losses (V OC, loss ) remain insufficiently understood. We regulated the perovskite crystallization process by in situ NH 3 generation, thereby enhancing the perovskite degree of energetic order. Density functional theory calculations reveal that lone‐pair electrons on the N atom of the NH 3 molecule coordinate with Pb 2+ , increasing the defect formation energy of lead vacancies (V Pb ), Pb‐on‐I antisite (Pb I ), and I‐on‐Pb antisite (I Pb ) to 5.61, 0.37, and 4.09 eV, respectively. As a result, we obtained energetic ordered perovskite film with an Urbach energy of 23.7 meV. The champion device exhibited a reduced V OC, loss by over than 50 mV and achieved an open‐circuit voltage (V OC ) of 1.182 V with a power conversion efficiency (PCE) of 26.26%. Under the ISOS‐D protocols, the device maintains over 95% of its initial efficiency after 1100 h of nitrogen storage and over 90% after 700 h at 65 °C. And the 5 × 5 cm 2 mini‐modules achieved a PCE of 21.31%, representing state‐of‐the‐art performance in perovskite photovoltaics.

Article Details

Volume / Issue Vol. 64, Issue 48
Published November 24, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (20)

C

Chuanzhen Shang

State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China

D

Duo Qu

State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China

Z

Zheng Bao

Beijing Solarverse Optoelectronic Technology Co., Ltd Beijing 100176 China

C

Chenyun Wang

State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China

Q

Qiangqiang Zhao

C

Chunsheng Li

Key Laboratory of Forest Plant Ecology, Ministry of Education, College of Chemistry, Chemical Engineering and Resource Utilization

B

Bin Zhou

X

Xuemeng Wang

Center for Cell Structure and Function, Shandong Provincial Key Laboratory of Animal Resistance Biology, Collaborative Innovation Center of Cell Biology in Universities of Shandong, Department of Biochemistry and Molecular Biology, College of Life Sciences, Shandong Normal University

R

Ruilin Han

State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China

S

Shasha Wang

W

Wenying Zhao

State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China

K

Kai Wang

J

Jiangang Liu

X

Xiaoyu Yang

Z

Zhang Lan

Engineering Research Center of Environment‐Friendly Functional Materials Ministry of Education Fujian Provincial Key Laboratory of Photoelectric Functional Materials Institute of Materials Physical Chemistry Huaqiao University Xiamen 361021 China

J

Jiang Wu

W

Weidong Xu

University of Cambridge , , ,

J

Jihuai Wu

Engineering Research Center of Environment‐Friendly Functional Materials Ministry of Education Fujian Provincial Key Laboratory of Photoelectric Functional Materials Institute of Materials Physical Chemistry Huaqiao University Xiamen 361021 China

R

Rui Zhu

Y

Yongguang Tu

State Key Laboratory of Flexible Electronics (LOFE) &amp; Institute of Flexible Electronics (IFE) Shaanxi Key Laboratory of Flexible Electronics MIIT Key Laboratory of Flexible Electronics (KLOFE) Northwestern Polytechnical University Xi'an 710072 China