First principles investigation on armchair zinc oxide nanoribbons as uric acid sensors

Singh, Paramjot; Randhawa, Deep Kamal Kaur; Tarun, .; Choudhary, B.C.; Walia, Gurleen Kaur; Kaur, Navjot

doi:10.1007/s00894-019-4243-9

Cited by 10 publications

(2 citation statements)

References 38 publications

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“…20,21 For example, the detection of uric acid can be facilitated by the pristine and defective or a doped structure of armchair silicene nanoribbons 22 and ZnO nanoribbons. 23 2D Ti 3 C 2 Mxenes have been utilized in the identification of cancer biomarkers. 24 The pathogenesis of lung cancer involves the malignant cells targeting the host's healthy cells, resulting in a biochemical cascade that also leads to the production of VOCs.…”

Section: Introductionmentioning

confidence: 99%

Interaction of the III-As monolayer with SARS-CoV-2 biomarkers: implications for biosensor development

Saha,

Sajib,

Alam

2024

Phys. Chem. Chem. Phys.

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Section: Introductionmentioning

confidence: 99%

Interaction of the III-As monolayer with SARS-CoV-2 biomarkers: implications for biosensor development

Saha,

Sajib,

Alam

2024

Phys. Chem. Chem. Phys.

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“…Zigzag ZnONRs are studied for sensor design to detect heavy metal atoms, gases, and uric acid. [24][25][26] The nitrogen doping of armchair ZnONRs results in rectification behavior. 18 It has been found that sulphur or thiol group passivations can improve the magnetic behavior of zigzag ZnONRs.…”

Section: Introductionmentioning

confidence: 99%

Nitrogen-doped zinc oxide nanoribbons for potential resonant tunneling diode applications

Krishna

Singh

Kaushik

2023

Phys. Chem. Chem. Phys.

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Prediction of the crystal structure and properties of energetic LLM‐105:oxidant cocrystals: A theoretical study

Wang

Zhu

2022

J Chinese Chemical Soc

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The possible molecular packing of energetic LLM‐105:oxidant cocrystals was simulated by Monte Carlo method. Then the crystal structure, electronic properties, intermolecular interactions, and detonation properties of the most stable LLM‐105:oxidant cocrystals (LLM‐105:H2O2, LLM‐105:HNO3 and LLM‐105:HClO4) were systematically studied by periodic density functional theory. The effects of the oxidant molecules on the crystal properties of LLM‐105 were discussed. The type and number of hydrogen bonds increase in the cocrystals compared with the LLM‐105 crystal. The band gaps of the LLM‐105: oxidant cocrystals are larger than that of the LLM‐105 crystal. Besides, the oxidant molecules mainly contribute to the valence band maxima. In the LLM‐105: oxidant cocrystals, the O⋯O interactions increase from H2O2 to HClO4, while the H⋯O interactions weaken. The interactions of H⋯O, N⋯O, O⋯O, and C⋯O type interactions are the main driving force for the formation of the LLM‐105: oxidant cocrystals. The LLM‐105:oxidant cocrystals have better detonation performance than the LLM‐105 crystal. Our results show that the cocrystals composed of the explosive molecule and oxidant molecules are very promising candidates for new energetic materials.

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First principles investigation on armchair zinc oxide nanoribbons as uric acid sensors

Cited by 10 publications

References 38 publications

Interaction of the III-As monolayer with SARS-CoV-2 biomarkers: implications for biosensor development

Interaction of the III-As monolayer with SARS-CoV-2 biomarkers: implications for biosensor development

Nitrogen-doped zinc oxide nanoribbons for potential resonant tunneling diode applications

Prediction of the crystal structure and properties of energetic LLM‐105:oxidant cocrystals: A theoretical study

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