The comparative study of structural, electronic, and optical properties of hydrogen peroxide and its dihydrate under pressures: first-principle calculations

Yuan, Wen-Shuo; Zhang, Kun-Ming; Gan, Yun-Dan; Li, Xing‐Han; Ming-Jian, Zhang; Liu, Fusheng; Liu, Zheng‐Tang; Hong, Dan; Liu, Qi‐Jun

doi:10.1007/s00894-022-05061-7

J Mol Model

2022

DOI: 10.1007/s00894-022-05061-7

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The comparative study of structural, electronic, and optical properties of hydrogen peroxide and its dihydrate under pressures: first-principle calculations

Wen-Shuo Yuan

Kun-Ming Zhang

Yun-Dan Gan³

et al.

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Cited by 6 publications

References 29 publications

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Potential use of microcapsules in manufacture of fibrous products: A review

Petrulis

Petrulyte²

2018

J of Applied Polymer Sci

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ABSTARCT: The present survey shows that microcapsules are used as effective tools for modification and functionalization of fibrous products. The core and shell materials of microcapsules can comprise various active ingredients in accordance with different requirements of final fibrous products. In this survey, the morphology, functional properties and added values of microcapsules, also such advanced types as nanocapsules, bi-, multifunctional microcapsules, and their applications in smart and other modern products are described. Some relevant applications of microcapsules in industrial processes are briefly discussed. The techniques used to encapsulate the core ingredients are also overviewed. and Portugal. She is the scientific expert of several organizations and the author/coauthor of more than 150 scientific works. Her main research interests include quality and applications of advanced fibrous materials.REVIEW WILEYONLINELIBRARY.COM/APP

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Potential use of microcapsules in manufacture of fibrous products: A review

Petrulis

Petrulyte²

2018

J of Applied Polymer Sci

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Initial Decomposition Mechanism of H₂O₂ at High Temperature and Pressure

Zheng,

Hong,

Liu

et al. 2023

Physica Status Solidi (b)

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In recent years, H2O2 as an excellent rocket propellant has been widely studied. Herein, the initial decomposition mechanism of H2O2 is studied in detail by molecular dynamics simulation based on density functional theory. It is found that when the energy input to H2O2 is low, the mechanism of intermolecular hydrogen transfer is dominant. With the increase of input energy, the breaking of O–O becomes the first step of the initial reaction, H–O fracture becomes the second step, and finally the transfer of hydrogen to produce H2O and HO2.

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Finishing of Textiles with Microencapsulated Acaricidal and Repellent Compounds

et al. 2022

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The comparative study of structural, electronic, and optical properties of hydrogen peroxide and its dihydrate under pressures: first-principle calculations

Cited by 6 publications

References 29 publications

Potential use of microcapsules in manufacture of fibrous products: A review

Potential use of microcapsules in manufacture of fibrous products: A review

Initial Decomposition Mechanism of H₂O₂ at High Temperature and Pressure

Finishing of Textiles with Microencapsulated Acaricidal and Repellent Compounds

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The comparative study of structural, electronic, and optical properties of hydrogen peroxide and its dihydrate under pressures: first-principle calculations

Cited by 6 publications

References 29 publications

Potential use of microcapsules in manufacture of fibrous products: A review

Potential use of microcapsules in manufacture of fibrous products: A review

Initial Decomposition Mechanism of H2O2 at High Temperature and Pressure

Finishing of Textiles with Microencapsulated Acaricidal and Repellent Compounds

Contact Info

Product

Resources

About

Initial Decomposition Mechanism of H₂O₂ at High Temperature and Pressure