Articles with "thermochemical properties" as a keyword



Thermochemical Properties of High Pressure Neodymium Monoxide.

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Published in 2024 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.4c01511

Abstract: Neodymium monoxide (NdO) is a metastable rare earth oxide material with a unique electronic structure, which has potential applications across various fields such as semiconductors, energy, catalysis, laser technology, and advanced communications. Despite its promising… read more here.

Keywords: pressure; thermochemical properties; neodymium monoxide; metal ... See more keywords

Comparative analysis of geometry, relative stabilities, optoelectronic and thermochemical properties of [CuX+2]λ and [CuX-Ag-Au]λ nanoalloy clusters (λ = 0, ± 1; X = 1 − 13): a DFT approach

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Published in 2025 at "Scientific Reports"

DOI: 10.1038/s41598-025-23559-x

Abstract: A comparative study of geometry, relative stabilities, optoelectronic and thermochemical properties of [CuX-Ag-Au]λ and [CuX+2]λ (λ = 0, ± 1; X = 1 − 13) nanoalloy clusters is performed by using density functional theory (DFT) technique. The ground state configuration as well… read more here.

Keywords: value; energy; thermochemical properties; cux cux ... See more keywords

Energetic tetrazoles and their rare 2N-oxides: Investigation of thermochemical properties

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Published in 2025 at "New Journal of Chemistry"

DOI: 10.1039/d5nj01150g

Abstract: Based on the models of predicted crystal packings of salts for nitro and trinitro-substituted tetrazoles using the author's approach of lattice energy mixing, their formation enthalpies were obtained. It was... read more here.

Keywords: tetrazoles rare; thermochemical properties; oxides investigation; rare oxides ... See more keywords

Influence of Short-Pulse Microwave Radiation on Thermochemical Properties Aluminum Micropowder

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Published in 2023 at "Materials"

DOI: 10.3390/ma16030951

Abstract: The thermochemical properties of Al micropowder after exposure to microwave irradiation were investigated. The Al micropowder was exposed to microwave irradiation in air with a frequency of 2.85 GHz, a power density of 8 W/cm2,… read more here.

Keywords: microwave radiation; aluminum micropowder; micropowder; thermochemical properties ... See more keywords