Adsorption of Multiple Toxic Gases by Transition-Metal-Loaded Ti <sub>2</sub> CO <sub>2</sub> : DFT-Based Performance Analysis

exhibited optimal adsorption performance under biaxial strain, attributed to enhanced charge transfer and orbital hybridization.

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Publication Details

Journal
Langmuir
Published
2026-04-17
DOI
https://doi.org/10.1021/acs.langmuir.5c06900
Primary Topic
MXene and MAX Phase Materials
Type
article
Field-Weighted Citation Impact
0.00

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article

Adsorption of Multiple Toxic Gases by Transition-Metal-Loaded Ti 2 CO 2 : DFT-Based Performance Analysis

Long Lin, Chuntang Qin, Chinweuba Michael Tochi, Jingyuan Ma
Langmuir
MXene and MAX Phase Materials
article

Adsorption of Multiple Toxic Gases by Transition-Metal-Loaded Ti 2 CO 2 : DFT-Based Performance Analysis

Long Lin, Chuntang Qin, Chinweuba Michael Tochi, Jingyuan Ma
article en

Abstract

exhibited optimal adsorption performance under biaxial strain, attributed to enhanced charge transfer and orbital hybridization.

LangmuirVol. 42(17)
Jiaozuo University (CN), Division of Materials Science and Engineering (AU), Henan Polytechnic University (CN)
National Natural Science Foundation of China-Henan Joint Fund
Clean water and sanitation
Openalex Percentile: Top 26%
MXene and MAX Phase Materials
DOISourceOpenAlex
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