講演情報
[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)
キーワード：
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.
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