Electronic properties of rutile and anatase ▫$TiO_2$▫ and their effect on ▫$CO_2$▫ adsorption : a comparison of first principle approaches

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Title:	Electronic properties of rutile and anatase $TiO_2$ and their effect on $CO_2$ adsorption : a comparison of first principle approaches
Authors:	ID Kovačič, Žan (Author) ID Likozar, Blaž (Author) ID Huš, Matej (Author)
Files:	URL - Source URL, visit https://www.sciencedirect.com/science/article/pii/S0016236122021573?via%3Dihub PDF - Presentation file, download (3,01 MB) MD5: E6E7090EB83E015A98D9F5E10F5F9DDE
Language:	English
Typology:	1.01 - Original Scientific Article
Organization:	KI - National Institute of Chemistry
Publication status:	Published
Publication version:	Author Accepted Manuscript
Publication date:	15.11.2022
Year of publishing:	2022
Number of pages:	str. 1-12
Numbering:	Vol. 328
PID:	20.500.12556/DiRROS-15362
UDC:	544.5/.6
ISSN on article:	0016-2361
DOI:	10.1016/j.fuel.2022.125322
COBISS.SI-ID:	117405955
Copyright:	© 2022 Elsevier Ltd. All rights reserved.
Note:	Članek št. 125322;
Publication date in DiRROS:	10.08.2022
Views:	1518
Downloads:	276
Metadata:
:	KOVAČIČ, Žan, LIKOZAR, Blaž and HUŠ, Matej, 2022, Electronic properties of rutile and anatase $TiO_2$ and their effect on $CO_2$ adsorption : a comparison of first principle approaches. Fuel [online]. 2022. Vol. 328, p. 1–12. [Accessed 7 April 2025]. DOI 10.1016/j.fuel.2022.125322. Retrieved from: https://dirros.openscience.si/IzpisGradiva.php?lang=eng&id=15362 Copy citation

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Funder:	ARRS - Slovenian Research Agency
Project number:	I0-0039
Name:	Gibanje znanost mladini (IP GZM)

Funder:	ARRS - Slovenian Research Agency
Project number:	J2-1724
Name:	Izdelava novega reaktorskega koncepta za mikrokinetične študije ter njegova uporaba za selektivno oksidativno dehidrogenacijo alkanov in spajanje metana

Funder:	ARRS - Slovenian Research Agency
Project number:	P2-0152
Name:	Kemijsko reakcijsko inženirstvo

Funder:	EC - European Commission
Funding programme:	H2020
Project number:	814416
Name:	Software Platform for Multiscale Modelling of Reactive Materials and Processes
Acronym:	ReaxPro

Language:	Slovenian
Keywords:	elektrokemija, fotokataliza, titanov dioksid, ogljikov dioksid

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