Gas Adsorption Mechanism on 2D Materials: The Hyperpolarizability Evolution Analyzed by Nonlinear Optics

Ting Yu Yen, Yang Hao Hung, Yu Zen Lee, Yen Teng Ho, Yann Wen Lan, Chiu Hsien Wu, Kuan Ming Hung, Kuang Yao Lo

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

While understanding the competitive adsorption behavior of gas sensor is important, it is yet to be unraveled. Especially for the influence of water molecules to the gas adsorbed on 2D materials. This study explores the potential of layered 2D materials as a candidate material for gas sensing, employing non-destructive measurement, and second harmonic generation (SHG). The investigation focuses on analyzing oxygen, ammonia, and water vapor adsorbed on a WS2 surface by studying the evolutions in electric dipole and electric field. Leveraging the simplified bond hyperpolarizability model (SBHM), a foundation is established for gas sensors utilizing high-quality 2D materials. This approach facilitates the detection of material modifications in response to environmental influences, including the inevitable water molecules. The obtained hyperpolarizability from SBHM exhibits remarkable consistency with Langmuir's adsorption model, confirming the physical adsorption in the system. In addition, the competitive effects between gases are explored by comparing experimental results with theoretical predictions based on Boltzmann distribution and density functional theory (DFT) calculations. This highlights the effectiveness of SHG and SBHM in studying gas adsorption on layered van der Waals materials.

Original languageEnglish
Article number2406005
JournalAdvanced Functional Materials
Volume34
Issue number42
DOIs
Publication statusPublished - 2024 Oct 15

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • General Chemistry
  • Biomaterials
  • General Materials Science
  • Condensed Matter Physics
  • Electrochemistry

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