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BTEX sensing potential of elemental-doped graphene: a DFT study

Hongping Zhang1, Run Zhang2, Shuchun Hu3

  • 1School of Mechanical Engineering, Institute for Advanced Study, Chengdu University, Sichuan 610041, China. zhanghongping@cdu.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|November 7, 2023
PubMed
Summary

Elementally-doped graphene shows promise for gas sensing. N-, O-, and Pd-doped graphenes are effective for detecting benzene, toluene, ethylbenzene, and xylene (BTEX), with O- and Pd-doping excelling in ethylbenzene selectivity.

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