journal article·2025-01

Longitudinal Piezoelectricity and Polarization‐Insensitive Oxidation in Janus vdWs Nb3SeI7

Jiapeng Wang, Xiaojia Yuan, Yuqiang Fang, Xinfeng Chen, Zhengbo Zhong, Shui Lin, Jiafan Qu, Jierui Fu, Yue Liu, Zhipeng Li, Bo Gao, Gaoyang Gou, Liang Zhen, Chengyan Xu, Jun Cai, Fuqiang Huang, Lu You, Yang Li

Small· Volume 21· Issue 2
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Abstract

Abstract As a newly discovered Janus van der Waals (vdW) material, semiconducting Nb3SeI7 offers several notable advantages, including spontaneous out‐of‐plane polarization, facile exfoliation to the monolayer limit, and significant out‐of‐plane emission dipole in second harmonic generation. These properties make it a promising candidate for piezoelectric and piezophototronic applications in highly efficient energy conversion. However, Nb3SeI7 is prone to oxidation when exposed to oxygen, which can severely limit the exploration and utilization of these intriguing physical properties. Therefore, understanding the oxidation mechanism of pristine Nb3SeI7 and its correlation with electrical polarization—an area that remains largely unexplored—is highly significant. In this study, the out‐of‐plane piezoelectricity of Nb3SeI7 is experimentally demonstrated, with a piezoelectric coefficient (|d33eff|) of 0.76 nm V−1. Furthermore, by combining near ambient‐pressure X‐ray photoelectron spectroscopy (NAP‐XPS), Time‐of‐Flight secondary ion mass spectrometry (ToF‐SIMS), and Density functional theory (DFT) calculations, it is revealed that the oxidation of Nb3SeI7 is self‐limiting and independent of its electrical polarization, owing to the similar defect formation energies of Se and I atoms. This self‐limiting and polarization‐insensitive oxidation provides valuable insights into the stabilization mechanisms and expands the potential applications of out‐of‐plane piezoelectricity and other intriguing physical properties in Janus vdW Nb3SeI7.
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Research context

OpenAlex topics: MXene and MAX Phase Materials · Inorganic Chemistry and Materials · 2D Materials and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Materials Science and Engineering Harbin Institute of Technology Harbin 150001 China

MIIT Key Laboratory of Advanced Display Materials and Devices School of Materials Science and Engineering Nanjing University of Science and Technology Nanjing 210094 China

School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai 200240 China

Zhangjiang Institute for Advanced Study Shanghai Jiao Tong University Shanghai 200240 China

Frontier Institute of Science and Technology & State Key Laboratory of Electrical Insulation and Power Equipment Xi'an Jiaotong University Xi'an 710049 China

School of Chemistry and Chemical Engineering Shanghai Jiao Tong University Shanghai 200240 China

School of Physical Science and Technology Shanghai Tech University Shanghai 201210 China

Institute of Modern Optics School of Physics Harbin Institute of Technology Harbin 150001 China

Sauvage Laboratory for Smart Materials School of Materials Science and Engineering Harbin Institute of Technology Shenzhen Shenzhen 518055 China

MOE Key Laboratory of Micro‐Systems and Micro‐Structures Manufacturing Harbin Institute of Technology Harbin 150080 China

School of Physical Science and Technology Jiangsu Key Laboratory of Thin Films Soochow University Suzhou 215006 China

Funding

National Key Research and Development Program of China · National Natural Science Foundation of China · Suzhou Municipal Science and Technology Bureau

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