KFU. Card publication. Adsorption behavior and sensing properties of toxic gas molecules onto PtnBe (n = 5, 7, 10) clusters: A DFT benchmark study

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ADSORPTION BEHAVIOR AND SENSING PROPERTIES OF TOXIC GAS MOLECULES ONTO PTNBE (N = 5, 7, 10) CLUSTERS: A DFT BENCHMARK STUDY

Form of presentation

Articles in international journals and collections

Year of publication

2022

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Authors, employees of KFU

Gumarova Irina Ivanovna, author

Kaviani Sadekh , author

Nedopekin Oleg Vladimirovich, author

Tayurskiy Dmitriy Albertovich, author

Bibliographic description in the original language

Kaviani S, Piyanzina I.I, Nedopekin O.V, Adsorption behavior and sensing properties of toxic gas molecules onto PtnBe (n = 5, 7, 10) clusters: A DFT benchmark study//Materials Today Communications. - 2022. - Vol.33, Is.. - Art. �104851.

Keywords

DFT, Gaussian, toxic gas, PtnBe cluster

The name of the journal

Materials Today Communications

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141771542&doi=10.1016%2fj.mtcomm.2022.104851&partnerID=40&md5=89cc43bcd9f77791e549a9bfdc8f7837

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=273261&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Gumarova Irina Ivanovna	ru_RU
dc.contributor.author	Kaviani Sadekh	ru_RU
dc.contributor.author	Nedopekin Oleg Vladimirovich	ru_RU
dc.contributor.author	Tayurskiy Dmitriy Albertovich	ru_RU
dc.date.accessioned	2022-01-01T00:00:00Z	ru_RU
dc.date.available	2022-01-01T00:00:00Z	ru_RU
dc.date.issued	2022	ru_RU
dc.identifier.citation	Kaviani S, Piyanzina I.I, Nedopekin O.V, Adsorption behavior and sensing properties of toxic gas molecules onto PtnBe (n = 5, 7, 10) clusters: A DFT benchmark study//Materials Today Communications. - 2022. - Vol.33, Is.. - Art. �104851.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=273261&p_lang=2	ru_RU
dc.description.abstract	Materials Today Communications	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	DFT	ru_RU
dc.subject	Gaussian	ru_RU
dc.subject	toxic gas	ru_RU
dc.subject	PtnBe cluster	ru_RU
dc.title	Adsorption behavior and sensing properties of toxic gas molecules onto PtnBe (n = 5, 7, 10) clusters: A DFT benchmark study	ru_RU
dc.type	Articles in international journals and collections	ru_RU