Li-Doped C20 nanocage and its derivatives for gas sensing application: A Density Functional Theory study

Talanta Open, Journal Year: 2025, Volume and Issue: unknown, P. 100408 - 100408

Published: Jan. 1, 2025

Language: Английский

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DFT-based comparative study of Li-decorated organic (C24), inorganic (B12N12), and hybrid nanocages for Cl2, COCl2, H2S, and NH3 sensing

Materials Today Chemistry, Journal Year: 2025, Volume and Issue: 45, P. 102613 - 102613

Published: March 3, 2025

Language: Английский

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Adsorption and sensing properties of Pd-doped Janus HfSSe monolayer for thermal runaway gases in lithium-ion batteries: A DFT study

Chemical Physics Letters, Journal Year: 2024, Volume and Issue: 855, P. 141572 - 141572

Published: Aug. 25, 2024

Language: Английский

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Sensitivity of pure and Ni-Decorated boron nitride B12N12 nanocages toward CH4, H2S, and N2 Biogases: A DFT study

Polyhedron, Journal Year: 2024, Volume and Issue: 265, P. 117302 - 117302

Published: Nov. 14, 2024

Language: Английский

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A facile ultrasound-assisted synthesis and DFT evaluation of 3D hierarchical tin disulfide nanoflowers

Next Materials, Journal Year: 2025, Volume and Issue: 8, P. 100579 - 100579

Published: March 8, 2025

Language: Английский

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Adsorption behaviors and gas-sensing properties of Agn(n = 1–3)-MoSSe for gases (C2H2, C2H4, CO) in oil-filled electrical equipment

Chemical Physics Letters, Journal Year: 2024, Volume and Issue: 858, P. 141746 - 141746

Published: Nov. 13, 2024

Language: Английский

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DFT-based study of doped C20 nanostructures for efficient detection of the narcotic drug ecstasy

Diamond and Related Materials, Journal Year: 2024, Volume and Issue: unknown, P. 111873 - 111873

Published: Dec. 1, 2024

Language: Английский

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