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Works citing this work

11 works

Work: Influence mechanism of leaching agent anions on the leaching of aluminium impurities in ionic-type rare earth ores: A DFT simulation combined with experimental verification

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  2. Study the effect of functional groups on the oxygen reduction reaction (ORR) of graphyne as a promising electrocatalyst in protons exchange membrane fuel cell

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  3. Computational exploration of transition metal mononitrides (MN: HfN, NbN, TaN, VN, and ZrN) anchored fullerenes (MN@C60) as electrocatalysts for hydrogen evolution reaction

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  4. Introducing a new type of boron nitride allotrope 2D monolayer high-performance anode for magnesium batteries

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  5. A computational investigation of monolayer HB: Effective NH3 gas sensor with highly sensor response

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  6. Enhancing H2S detection: the role of Al doping concentration in the electronic properties of ZnO nanocages

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  7. Using DFT to explore the sensitivity of pure and vacancy-defected BC6N monolayer towards formaldehyde gas

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  8. Investigating the capacity of Co-doped BN-yne in catalyzing the dissociation of carbon dioxide through density functional theory computations

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    ArticleCarbon dioxide utilization in catalysisJournal of the Indian Chemical Society20250 citations
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  9. Density functional theory investigation of pure and doped boron nitride nanoclusters for ultrasensitive detection of colorectal cancer biomarkers in exhaled breath

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  10. A DFT study for evaluation of the electrochemical performance of hydrogen boride monolayer as anode for Mg-ion battery

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  11. High-performance visible-light photocatalyst based on IL-modified Bi2MoO6 with MXene charge mediation and MIL-100(Fe) adsorptive oxidation for broad-spectrum aqueous remediation

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