DATASET OF FIRST-PRINCIPLES DFT INVESTIGATION OF HCl ADSORPTION AND GAS-SENSING PERFORMANCE ON FLUORINE-DOPED GRAPHENE

Name: DATASET OF FIRST-PRINCIPLES DFT INVESTIGATION OF HCl ADSORPTION AND GAS-SENSING PERFORMANCE ON FLUORINE-DOPED GRAPHENE
Creator: Bolatito Lasisi
Published: 2026-08-14T06:09:30.512Z
Keywords: Computational Chemistry

Lasisi, Bolatito; Alli, Omoyele; Adekoya, Joseph; Akinsiku, Anuoluwa

doi:10.17632/yyc4rm976f.1

DATASET OF FIRST-PRINCIPLES DFT INVESTIGATION OF HCl ADSORPTION AND GAS-SENSING PERFORMANCE ON FLUORINE-DOPED GRAPHENE

Published: 14 August 2026| Version 1 | DOI: 10.17632/yyc4rm976f.1

Contributors:

,

, Joseph Adekoya,

Description

The dataset used to generate the first-principles DFT investigation of HCl adsorption and gas-sensing performance on fluorine-doped graphene.

DATASET OF FIRST-PRINCIPLES DFT INVESTIGATION OF HCl ADSORPTION AND GAS-SENSING PERFORMANCE ON FLUORINE-DOPED GRAPHENE

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