[18a-A35-1~7] CS.6 Code-sharing Session of 4.5 & 17

11:45 AM - 12:00 PM JST(2:45 AM - 3:00 AM UTC)English Presentation

[18a-A35-7] Pt Nanocluster Decoration on WSe₂ for Enhanced NO₂ Sensing: A DFT Investigation

Neetu Raj Bharti¹, 〇(DC)Aditya Kushwaha¹, Neeraj Goel¹ (1.Netaji Subhas University of Technology, Dwarka, Sector - 3, Delhi - 110078, India)

Keywords:

2D Materials,TMDs,Gas Sensing

Gas sensors are crucial for air quality monitoring, safeguarding health, and enforcing emission rules. NO₂, a pollutant primarily generated by fossil fuel combustion, necessitates sensitive detection due to its detrimental health effects and contribution to environmental pollution. Two-dimensional (2D) transition metal dichalcogenides (TMDs) decorated with noble metals have shown promise for gas sensors due to their improved sensitivity and selectivity. In this work, density functional theory (DFT) calculates the NO₂ gas sensing properties of pristine WSe₂ and WSe₂ decorated with Pt nanoclusters (WSe₂-xPt, x = 1, 2, and 3). Because of differences in Fermi levels, Pt nanoclusters on WSe₂ improve catalytic oxidation through electron extraction. NO₂ withdraws electrons from Pt nanoclusters and increases WSe₂'s sensitivity by incorporating active sites. WSe₂-3Pt exhibits superior NO₂ sensitivity in comparison to other arrangements.