Adsorption and Sensing Performance of Vented Gases from Lithium-Ion Batteries on Transition-Metal-Doped GeTe Nanosheets: A DFT Investigation
Source abstract
Abstract
Online monitoring of vented gases released by lithium-ion batteries (LIBs) during the early stages of thermal runaway is a potential method for ensuring the operational state of LIBs. Using the density functional theory method, the adsorption and sensing performances of transition-metal (TM) (Rh, Au, Pd, and Ag)-doped GeTe monolayers toward vented gases from LIBs were analyzed by calculating the adsorption energy, charge transfer, deformation charge density, density of states, work function, sensitivity, and recovery time. Results demonstrate that TM-doped GeTe monolayers have superior adsorption properties and sensitivity for CO 2, CO, C 2 H 2, and C 2 H 4 compared with pure GeTe. This study provides theoretical guidance for designing a new gas nanosensor to detect the vented gases emitted from LIBs during thermal runaway.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advancements in Battery Materials · Advanced Battery Technologies Research · Gas Sensing Nanomaterials and Sensors
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Electrical and Electronic Engineering, Chongqing University of Technology, Chongqing 400054, China
Funding
National Natural Science Foundation of China
References (60)
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