Yuan-Gen Yao

发表论文 10 篇 · 总被引 163 次 · h-index 6

代表论文

• Tuning the Gas Sensing Properties of ZrS2 Monolayers via Pt Modification: Insights from DFT Simulations. (2025 · Langmuir · 被引 46)
• DFT study of SF6 decomposition species adsorption on Ni-doped InSe Monolayer: Insights into gas sensing performance. (2025 · Journal of Molecular Graphics and Modelling · 被引 30)
• Sensing Performance of Fe-Doped C3B Monolayers for Dissolved Gases in Transformer Oil: A Comprehensive DFT Investigation (2025 · Surfaces and Interfaces · 被引 26)
• Cu or Rh-doped InSe monolayers for acid rain gas detection and capture: Insights from first-principles calculations (2025 · Computational and Theoretical Chemistry · 被引 25)
• Using CFD and machine learning to explore chaotic mixing in laminar diameter-transformed stirred tanks (2024 · Chemical Engineering Journal · 被引 22)
• A boron-doped ZrS2 monolayer as a promising gas sensing material for the detection of volatile organic compounds: a DFT study. (2025 · Physical Chemistry, Chemical Physics - PCCP · 被引 17)