Work

Ultrasensitive and Selective ZPNRs-H Sensor for Sulfur Gas Molecules Detection

Year: 2025

Type: article

Abstract: The exceptional sensing properties of hydrogen-saturated zigzag phosphorene nanoribbons (ZPNRs-H) for sulfur-containing gases, namely SO3, SO2, and H2S, were investigated using first-principles calculations based on density functional theory. The total energy, adsorption energy, and Mulliken charge transfer were assessed to evaluate the adsorption properties of the ZPNRs-H towards these gases. Notably, the ZPNRs-H exhibits physical adsorption for SO2 and H2S gas molecules, while demonstrating chemical adsorption for SO3, characterized by a substantial adsorption energy and pronounced charge transfer. Furthermore, the adsorption of SO3 significantly modulates the electronic density of states near the Fermi level of ZPNRs-H. The current–voltage (I–V) characteristics unveil a remarkable enhancement in conductivity post-SO3 adsorption, underscoring the high sensitivity of ZPNRs-H towards SO3. Our findings provide profound theoretical insights, heralding the potential of ZPNRs-H as a cutting-edge sensor for SO3 detection.

Source: Nanomaterials

DOI: 10.3390/nano15161273

Authors: Shaolong Su, Xiaodong Lv, Jian Gong, Zhi-Qiang Fan

Institutions: Inner Mongolia Normal University, Ordos Institute of Technology, Changsha University of Science and Technology

Language: English

Topic: Gas Sensing Nanomaterials and Sensors

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,896

Funders: National Natural Science Foundation of China, Natural Science Foundation of Inner Mongolia