铂和钯修饰硫化锡吸附甲醛的电子及气敏特性研究

doi:10.11896/cldb.24100250

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Abstract In this work, we employ density functional theory calculations to investigate the adsorption behavior of CH₂O on intrinsic SnS monolayers as well as SnS monolayers modified with Pt and Pd. We focus on changes in geometric structure, adsorption energy, band structure, density of states, charge density difference, recovery time, and sensitivity before and after adsorption. Our findings reveal that on the intrinsic SnS monolayer, the adsorption energy between CH₂O molecules and the SnS monolayer is small, and the adsorption distance is long, resulting in insensitivity of the intrinsic SnS monolayer to CH₂O. After Pt modified SnS monolayer adsorbs CH₂O, new energy levels are generated, forming strong interactions with SnS monolayer. This interaction improves the sensitivity of SnS monolayer adsorbs CH₂O, reaching up to 75.7%. Similar to Pt, Pd modified SnS adsorbs CH₂O and generates new energy levels with greater adsorption energy and charge transfer, achieving a sensitivity of up to 98.4%, which is 57.4 times higher than the intrinsic SnS monolayer. Additionally, the moderate adsorption energy(-0.621 eV) ensures excellent reversibility and a suitable recovery time (3.18 ms) for Pd-modified SnS monolayers at room temperature. Thus, SnS monolayers, as environmentally friendly materials, exhibit immense potential in gas pollution detection technology.

Key words： SnS monolayer modify first-principles formaldehyde gas sensor

Published: 25 November 2025 Online: 2025-11-14

CLC number:	TB34
	O647.3

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	MO Qiuyan
	WU Jiayin
	JING Tao

Cite this article:

MO Qiuyan,WU Jiayin,JING Tao. Study on the Electronic and Gas Sensing Properties of Pt and Pd Modified Tin Sulfide Adsorption of Formaldehyde[J]. Materials Reports, 2025, 39(22): 24100250-7.

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https://www.mater-rep.com/EN/10.11896/cldb.24100250 OR https://www.mater-rep.com/EN/Y2025/V39/I22/24100250

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