Investigation of Contact Electrification between 2D MXenes and MoS2 through Density Functional Theory and Triboelectric Probes

Author:

Gao Haiqi1,Hu Mingao1,Ding Junfei2,Xia Bailu1,Yuan Guanglu2,Sun Huasheng2,Xu Qinghao1,Zhao Shiyu1,Jiang Yawei1,Wu Hong1,Yuan Ming1,Li Jiahui1,Li Bingxiang1,Zhao Jin1,Rao Dewei3,Xie Yannan1ORCID

Affiliation:

1. State Key Laboratory of Organic Electronics and Information Displays & Institute of Advanced Materials (IAM) Nanjing University of Posts & Telecommunications Nanjing 210023 China

2. Department of Applied Physics Nanjing University of Science and Technology Nanjing 210094 China

3. School of Materials Science and Engineering Jiangsu University Zhenjiang 212013 China

Abstract

AbstractContact electrification (triboelectrification) (CE) is a universal phenomenon in ambient environment and has been recorded for more than 2600 years. Nonetheless, the intrinsic mechanism of CE still remains controversial. Herein, based on first‐principles theory, the underlying mechanism in CE is systematically investigated between metallic MXenes and semiconductive MoS2. The results show that the work functions of contacting materials dominate the direction of electron transfer during CE process. That is, the electron will be transferred from the material with low work function to the one with high work function. The theoretical prediction is verified experimentally through investigating triboelectric probes based on MXenes and MoS2 nanomaterials. Additionally, it is noted that the interfacial potential barrier and the work function difference together modulate the amount of transferred electron. Electron transfer mainly occurs in the repulsive forces region where the interaction distance between the two materials is shorter than the normal bonding length. The quantum calculation results agree well with the Wang transition theory. Furthermore, it is also noticed that, due to the wave‐particle duality of electron, electron transfer will obviously occur at the attractive force region when the two contacting materials exhibit a larger work function difference.

Funder

National Key Research and Development Program of China

Jiangsu Planned Projects for Postdoctoral Research Funds

National Natural Science Foundation of China

Priority Academic Program Development of Jiangsu Higher Education Institutions

Jiangsu Provincial Key Research and Development Program

Publisher

Wiley

Subject

Electrochemistry,Condensed Matter Physics,Biomaterials,Electronic, Optical and Magnetic Materials

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