Unraveling the substituent impact of fluorinated & oxidized sumanene derivatives on stacking interactions and charge transport

Xi Chen, Shuo Xu, Xinpeng Liu, Huan Wang, Simeng Gao and Fu-Quan Bai

New J. Chem., 2025, 49, 16370
DOI: 10.1039/D5NJ01728A

Theoretical study on the optoelectronic properties of fluorinated phenylpyrrole-based hole transport materials for perovskite solar cells

Wenhui You, Jie Yang and Quansong Li

J. Mater. Chem. C, 2025, 13, 285
DOI: 10.1039/D4TC03432E

Theoretical calculations and experimental investigation toward the π-conjugated modulation in arylamine derivative-based hole transporting materials for perovskite solar cells

Chengyu Wu, Ruiqin Wang, Jiayi Qi, Xin Chen, Fei Wu and Xiaorui Liu

Phys. Chem. Chem. Phys., 2023, 25, 27151
DOI: 10.1039/D3CP03409G

Exploration of conjugated π-bridge units in N,N-bis(4-methoxyphenyl)naphthalen-2-amine derivative-based hole transporting materials for perovskite solar cell applications: a DFT and experimental investigation

Puhang Cheng, Qian Chen, Hongyuan Liu and Xiaorui Liu

RSC Adv., 2022, 12, 1011
DOI: 10.1039/D1RA08133K

Tetra-indole core as a dual agent: a hole selective layer that passivates defects in perovskite solar cells

Meenakshi Pegu, Samrana Kazim, Peng Huang, Luis Lezama and Shahzada Ahmad

J. Mater. Chem. C, 2021, 9, 7074
DOI: 10.1039/D1TC01258D

Machine learning-assisted screening of effective passivation materials for P–I–N type perovskite solar cells

Di Huang, Chaorong Guo, Zhennan Li, Haixin Zhou, Xiaojie Zhao, Zhimin Feng, Rui Zhang, Menglong Liu, Jiaojiao Liang, Ling Zhao and Juan Meng

J. Mater. Chem. C, 2023, 11, 9602
DOI: 10.1039/D3TC01140B

A π-extended triphenylamine based dopant-free hole-transporting material for perovskite solar cells via heteroatom substitution

Mengyao Hao, Davin Tan, Weijie Chi and Ze-sheng Li

Phys. Chem. Chem. Phys., 2022, 24, 4635
DOI: 10.1039/D1CP05503H

Modifying a D–A–π–A–D HTM system for higher hole mobility by themeta-substitution strategy to weaken the electron-donating ability of the donor unit: a DFT study

Ke-Li Wang, Qun-Gui Wang, Cui-E Hu, Yan Cheng, Guang-Fu Ji and Xiang-Rong Chen

Nanoscale, 2023, 15, 12048
DOI: 10.1039/D3NR01390A

BN-embedded aromatic hydrocarbons: synthesis, functionalization and applications

Qiang Feng, Ying Zhou, Han Xu, Jianhua Liu, Zicheng Wan, Yawei Wang, Pinghua Yang, Shan Ye, Yiding Zhang, Xiaohua Cao, Dapeng Cao and Huanan Huang

Chem. Soc. Rev., 2025, 54, 5995
DOI: 10.1039/D5CS00147A

Theoretical investigation of the core-related electronic and charge transport properties of 2D expanded small molecule hole-transporting materials

Xiaorui Zhu, Maosen Yang and Zhu-Zhu Sun

New J. Chem., 2024, 48, 15645
DOI: 10.1039/D4NJ03123G

Side-chain engineering on triphenylamine derivative-based hole-transport materials for perovskite solar cells: Theoretical simulation and experimental exploration

Ruiqin Wang, Rui Wang, Xin Chen, Chengyu Wu, Fei Wu and Xiaorui Liu

Dyes and Pigments, 2023, 212, 111097
DOI: 10.1016/j.dyepig.2023.111097

Azatriphenylene-based D-A-D-typed hole-transporting materials for perovskite solar cells with tunable energy levels and high mobility

Zhu-Zhu Sun, Shuai Feng, Wei-Lu Ding, Xing-Liang Peng, Jing-Lun Liu and Xing-Lei Xu

Solar Energy, 2021, 224, 491
DOI: 10.1016/j.solener.2021.06.030

Janus dione derivatives: Novel high-mobility hole transport materials for perovskite solar cells

Xin Wen, Wuyan Gu, Changdong Shao, Shizheng Wen and Yuhe Kan

Materials Today Communications, 2022, 32, 104090
DOI: 10.1016/j.mtcomm.2022.104090

Interpretable machine learning assisted multi-objective optimization design for small molecule hole transport materials

Xian Zhou, Zhichun Zheng, Tian Lu, Pengcheng Xu, Ting Chang, Minjie Li and Wencong Lu

Journal of Alloys and Compounds, 2023, 966, 171440
DOI: 10.1016/j.jallcom.2023.171440

Probing the effect of acceptor engineering in benzothiadiazole-based D-A-D-typed hole-transporting materials for perovskite solar cells

Zhu-Zhu Sun, Shuai Feng, Wei-Lu Ding, Jie Yang, Xiao-Rui Zhu, Jing-Lun Liu and Xing-Lei Xu

Synthetic Metals, 2022, 289, 117136
DOI: 10.1016/j.synthmet.2022.117136

Molecular Si-Cyclization Enables Versatile Organic Semiconductors for Durable Perovskite Solar Cells with 24.8% Efficiency

Zongyuan Yang, Zhaolong Ma, Zhe Wang, Mengyuan Li, Zhihui Wang, Hui Cheng, Xueping Zong, Suhao Yan and Mao Liang

ACS Energy Lett., 2025, 10, 1448
DOI: 10.1021/acsenergylett.5c00197

Rational design of phenothiazine-based hole transport material with fluorene-containing asymmetric peripheral donor group for perovskite solar cells

Mengde Zhai, Yawei Miao, Haoxin Wang, Linqin Wang, Xingdong Ding, Cheng Chen and Ming Cheng

Dyes and Pigments, 2022, 202, 110279
DOI: 10.1016/j.dyepig.2022.110279

Multifunctional Core-Substituted N-Phenylaniline for Linear Hole-Transport Materials Enabling Durable Perovskite Solar Cells

Zhihui Wang, Zhaolong Ma, Xiangfeng Cai, Hui Cheng, Mengyuan Li, Qing Yi, Liangdong Feng, Xueping Zong and Mao Liang

ACS Appl. Energy Mater., 2025, 8, 12887
DOI: 10.1021/acsaem.5c02091

Rational tailoring of electron-donating arms toward promising thia[5]helicene-based hole-transporters for stable and efficient perovskite solar cells

Lu Zhang, Yang Li, Xinru Zhang, Ping-Ping Sun, Xiaorui Zhu, Yunhai Zhang and Zhu-Zhu Sun

Solar Energy, 2025, 299, 113752
DOI: 10.1016/j.solener.2025.113752

Impact of Molecular Side‐Chain Modifications on Triphenylamine‐Based Materials as Donors for Organic and as Hole Transporting Materials for Perovskite Solar Cells

Aaida Shafiq, Muzammil Hussain, Riaz Hussain, Zobia Irshad, Hany W. Darwish, Mahmood Ahmed, Malik Muhammad Asif Iqbal and Muhammad Adnan

Energy Tech, 2026, 14
DOI: 10.1002/ente.202501285

Green-Solvent-Processable Low-Cost Fluorinated Hole Contacts with Optimized Buried Interface for Highly Efficient Perovskite Solar Cells

Qiaogan Liao, Yang Wang, Mengyao Hao, Bolin Li, Kun Yang, Xiaofei Ji, Zhaojin Wang, Kai Wang, Weijie Chi, Xugang Guo and Wei Huang

ACS Appl. Mater. Interfaces, 2022, 14, 43547
DOI: 10.1021/acsami.2c10758

Design and study of novel benzodithiazole-based hole transport materials for improved performance of perovskite solar cells: A DFT approach

Umar Mukhtar, Hafeez Anwar, Yasir Jamil and Javed Iqbal

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2024, 702, 134931
DOI: 10.1016/j.colsurfa.2024.134931

Quantum designing of alkyl-silyl benzodithiophene-based hole transport materials for organic and perovskite solar cells

Mahneema Murtaza, Umar Mukhtar, Nabeeha Gul, Meznah M. Alanazi, Saleem Iqbal and Javed Iqbal

Solar Energy, 2025, 302, 114005
DOI: 10.1016/j.solener.2025.114005

Molecular engineering of novel dithiophene-fused hole-transporting materials for highly efficient perovskite solar cells

Wenjing Zhu, He Qu, Ming Qin, Hao Dong and Xin Zhou

Dyes and Pigments, 2023, 219, 111635
DOI: 10.1016/j.dyepig.2023.111635

Molecularly understanding and regulating carrier injection behavior of ETL/perovskite towards high performance PeLEDs

Qungui Wang, Keli Wang, Cheng Yan, Xiankan Zeng, Xuehai Fu, Jingjing Cao, Shiyu Yang, Wen Li, Xiangrong Chen and Weiqing Yang

Chemical Engineering Journal, 2023, 456, 141077
DOI: 10.1016/j.cej.2022.141077

Side‐Chain Methylthio‐Based Position Isomerism of Hole‐Transport Materials for Perovskite Solar Cells: From Theoretical Simulation to Experimental Characterization

Ruiqin Wang, Chengyu Wu, Jiayi Qi, Wei Shen, Fei Wu, Ming Li, Rongxing He and Xiaorui Liu

Adv Funct Materials, 2023, 33
DOI: 10.1002/adfm.202213843

Synthesis of BN-embedded dibenzo[fg,op]tetracenes via tandem borylative cyclization of 10-alkynyl-1-phenylphenanthren-9-amines

Jiaying Lv, Ruimao Hua, Jie Yang and Fangyuan Zhao

Tetrahedron, 2026, 196, 135269
DOI: 10.1016/j.tet.2026.135269