Structural, Electronic and Zinc Doping Effect on the Catalytic and Optical Properties of Lanthanum Orthochromite Perovskite: Experimental and Theoretical Study

Structural, Electronic and Zinc Doping Effect on the Catalytic and Optical Properties of Lanthanum Orthochromite Perovskite: Experimental and Theoretical Study Научная публикация

Журнал

Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210

Вых. Данные

Год: 2025, Том: 66, Номер: 1, Страницы: 54-64 Страниц : 11 DOI: 10.1134/s0023158424602018

Авторы

Chadli Abdelhakim ¹ , Chadli Ilham ² , Hammoudeh Ayman ³ , Cheriet Abderrahmane ⁴ , Manca Gabriele ⁵

Организации

1	Research Laboratory in Subterranean and Surface Hydraulics LARHYSS, Mohamed Khider University, PO Box 145, Biskra, 07000 Algeria
2	Molecular Chemistry and Environment Laboratory, Mohamed Khider University-Biskra, PO Box 145, Biskra, 07000 Algeria
3	Department of Chemistry, Yarmouk University, P.O Box 566, Irbid, 21163 Jordan
4	Physico-Chemistry of Materials Laboratory, Amar Telidji University, 37G Ghardaia Road, Laghouat, 03000 Algeria
5	Istituto di Chimica Dei Composti Organometallici, CNR-ICCOM, Via Madonna del Piano 10, Sesto Fiorentino, Florence, 50019 Italy

In this work, lanthanum orthochromite (LaCrO3; LCO) and lanthanum orthochromite doped with zinc in the B site ((LaCr1–xZnxO3: x = 0.1, 0.2, 0.3; LCZO) were synthesized by the sol–gel citrate route and investigated with respect to their crystal structure, surface morphology and optical band gap energy by means of X-ray diffraction, scanning electron microscopy and UV–Vis spectrophotometry. Moreover, the band structure, density of states (DOS) and electronic density were calculated for LCO using the DFT–FP–LAPW method. The XRD analysis showed that LCO sintered at 1000°C and LCZO sintered at 1100°C crystallize in a perovskite-type orthorhombic structure. The computed band gap energy was about 2.93 eV for pure LCO oxide. On the other hand, the experimental results showed a remarkable decrease in the LCO optical band gap from 3.0 to 2.7 eV with increased Zn content. The prepared systems were also tested with respect to their catalytic activity in the oxidative dehydrogenation of 1-butene, where doping with Zn was found to improve the catalytic performance of LCZO catalysts, leading to a maximum selectivity to 1,3-butadiene of 35% at a zinc doping level of x = 0.2.

Chadli A. , Chadli I. , Hammoudeh A. , Cheriet A. , Manca G.
Structural, Electronic and Zinc Doping Effect on the Catalytic and Optical Properties of Lanthanum Orthochromite Perovskite: Experimental and Theoretical Study
Kinetics and Catalysis. 2025. V.66. N1. P.54-64. DOI: 10.1134/s0023158424602018 WOS Scopus РИНЦ CAPlusCA OpenAlex

Поступила в редакцию:	20 янв. 2024 г.
Принята к публикации:	23 дек. 2024 г.
Опубликована online:	29 апр. 2025 г.

Web of science:	WOS:001478439100001
Scopus:	2-s2.0-105003849744
РИНЦ:	82395810
Chemical Abstracts:	2025:1294938
Chemical Abstracts (print):	191:363007
OpenAlex:	W4409920427