TY - JOUR
T1 - Functionalized-MXene-nanosheet-doped tin oxide enhances the electrical properties in perovskite solar cells
AU - Yin, Li
AU - Liu, Chenguang
AU - Ding, Changzeng
AU - Zhao, Chun
AU - Mitrovic, Ivona Z.
AU - Lim, Eng Gee
AU - Wang, Haibin
AU - Sun, Yi
AU - Han, Yunfei
AU - Li, Zerui
AU - Yang, Li
AU - Ma, Chang Qi
AU - Zhao, Cezhou
N1 - Funding Information:
This research was funded in part by the Natural Science Foundation of the Jiangsu Higher Education Institutions of China Program (19KJB510059), the Natural Science Foundation of Jiangsu Province of China (BK20180242), the Suzhou Science and Technology Development Planning Project: Key Industrial Technology Innovation (SYG201924), the University Research Development Fund (RDF-17-01-13), and the Key Program Special Fund in XJTLU (KSF-P-02, KSF-T-03, KSF-A-04, KSF-A-05, KSF-A-07, and KSF-A-18). This work was partially supported by the XJTLU AI University Research Centre, the Jiangsu (Provincial) Data Science, and the Cognitive Computational Engineering Research Centre at XJTLU. I.Z.M. acknowledges the British Council UKIERI project no. IND/CONT/G/17-18/18.) The authors would like to acknowledge the Vacuum Interconnected Nanotech Workstation (Nano-X) of SINANO, CAS for the online XPS/UPS characterization on the MXene samples (project no. A2107). L. Yin designed the experiment, fabricated the PSCs, analyzed the data, finished DFT calculations, and wrote the original draft. C.L. synthesized MXene and functionalized MXene. C.D. and H.W. helped to analyze the energy-level alignment. Y.S. helped to analyze the DFT data. C.D. Z.L. and Y.H. contributed to SCLC and EIS data analyses. I.Z.M. E.G.L. L. Yang, and Cezhou Zhao contribute to the revision of the original manuscript. L. Yin, with the help of Chun Zhao and C.-Q.M. designed the experiment and wrote the manuscript. All authors contributed to the interpretation and discussion of the results. The authors declare no conflicts of interest.
Funding Information:
This research was funded in part by the Natural Science Foundation of the Jiangsu Higher Education Institutions of China Program ( 19KJB510059 ), the Natural Science Foundation of Jiangsu Province of China ( BK20180242 ), the Suzhou Science and Technology Development Planning Project: Key Industrial Technology Innovation ( SYG201924 ), the University Research Development Fund ( RDF-17-01-13 ), and the Key Program Special Fund in XJTLU ( KSF-P-02 , KSF-T-03 , KSF-A-04 , KSF-A-05 , KSF-A-07 , and KSF-A-18 ). This work was partially supported by the XJTLU AI University Research Centre , the Jiangsu (Provincial) Data Science , and the Cognitive Computational Engineering Research Centre at XJTLU . I.Z.M. acknowledges the British Council UKIERI project no. IND/CONT/G/17-18/18.) The authors would like to acknowledge the Vacuum Interconnected Nanotech Workstation (Nano-X) of SINANO, CAS for the online XPS/UPS characterization on the MXene samples (project no. A2107).
Publisher Copyright:
© 2022 The Authors
PY - 2022/6/15
Y1 - 2022/6/15
N2 - An appropriate electron transport layer (ETL) with better energy alignment and enhanced charge transfer, thereby helping efficient extraction and transport of photogenerated carriers, is essential to achieve the creation of high-performance devices. In this work, we use functionalized MXene modified with fluoroalkylsilane and dodecyltrimethoxysilane molecules, denoted as SnO2-MF and SnO2-MH, as nanosheet dopants in the SnO2 ETL. From density functional theory (DFT) calculations and ultraviolet photoelectron spectra (UPS) spectra, we see that better band alignment is achieved for the SnO2-MH ETL. Meanwhile, functionalized MXene nanosheets represent high electrical conductivity and mobility and could form zero Schottky barrier heterojunction with SnO2, effectively and rapidly enhancing carrier transfer. Finally, the suitable surface energy achieved by functionalized MXene additives can enlarge the grain size of perovskite thin films. Consequently, a significant improvement of power conversion efficiency (PCE) from 20.98% to 23.66% (24.12% for the champion device with a fill factor [FF] over 0.84) can be achieved for devices based on the SnO2-MH ETL, which also possess improved moisture resistance and operational stability.
AB - An appropriate electron transport layer (ETL) with better energy alignment and enhanced charge transfer, thereby helping efficient extraction and transport of photogenerated carriers, is essential to achieve the creation of high-performance devices. In this work, we use functionalized MXene modified with fluoroalkylsilane and dodecyltrimethoxysilane molecules, denoted as SnO2-MF and SnO2-MH, as nanosheet dopants in the SnO2 ETL. From density functional theory (DFT) calculations and ultraviolet photoelectron spectra (UPS) spectra, we see that better band alignment is achieved for the SnO2-MH ETL. Meanwhile, functionalized MXene nanosheets represent high electrical conductivity and mobility and could form zero Schottky barrier heterojunction with SnO2, effectively and rapidly enhancing carrier transfer. Finally, the suitable surface energy achieved by functionalized MXene additives can enlarge the grain size of perovskite thin films. Consequently, a significant improvement of power conversion efficiency (PCE) from 20.98% to 23.66% (24.12% for the champion device with a fill factor [FF] over 0.84) can be achieved for devices based on the SnO2-MH ETL, which also possess improved moisture resistance and operational stability.
KW - density functionalized theory calculation
KW - functionalized MXene
KW - heterojunction
KW - perovskite solar cells
UR - http://www.scopus.com/inward/record.url?scp=85132541411&partnerID=8YFLogxK
U2 - 10.1016/j.xcrp.2022.100905
DO - 10.1016/j.xcrp.2022.100905
M3 - Article
AN - SCOPUS:85132541411
SN - 2666-3864
VL - 3
JO - Cell Reports Physical Science
JF - Cell Reports Physical Science
IS - 6
M1 - 100905
ER -