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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Hydrogen encapsulation properties of heteroatoms doped fullerenes: A DFT study for potential hydrogen storage application

Diamond and Related Materials, Journal Year: 2025, Volume and Issue: unknown, P. 111994 - 111994

Published: Jan. 1, 2025

Language: Английский

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Nickel dispersed microporous and mesoporous templated carbons for atmospheric hydrogen adsorption

Materials Chemistry and Physics, Journal Year: 2024, Volume and Issue: 322, P. 129536 - 129536

Published: May 31, 2024

Language: Английский

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Machine learning-assisted DFT-prediction of pristine and endohedral doped (O and Se) Ge12C12 and Si12C12 nanostructures as anode materials for lithium-ion batteries

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Oct. 31, 2024

Language: Английский

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Insight into the Reversible Hydrogen Storage of Titanium-Decorated Boron-Doped C20 Fullerene: A Theoretical Prediction

Molecules, Journal Year: 2024, Volume and Issue: 29(19), P. 4728 - 4728

Published: Oct. 6, 2024

Hydrogen storage has been a bottleneck factor for the application of hydrogen energy. capacity titanium-decorated boron-doped C

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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