2023
DOI: 10.1016/j.matchemphys.2023.128006
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Structural and physical properties of Mg-doped CuCoO2 delafossite thin films

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Cited by 5 publications
(3 citation statements)
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“…Gas chromatography was used to assess the rate of hydrogen creation, and the catalyst performed better with rotation during the OER and HER. These findings demonstrate the potential of CuYO 2 nanopowder as a viable catalytic material for hydrogen generation applications, including fuel cells, battery devices, electrolysers, and solar water splitting [102,[132][133][134].…”
Section: Cuyo 2 Delafossite Materialsmentioning
confidence: 71%
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“…Gas chromatography was used to assess the rate of hydrogen creation, and the catalyst performed better with rotation during the OER and HER. These findings demonstrate the potential of CuYO 2 nanopowder as a viable catalytic material for hydrogen generation applications, including fuel cells, battery devices, electrolysers, and solar water splitting [102,[132][133][134].…”
Section: Cuyo 2 Delafossite Materialsmentioning
confidence: 71%
“…CuCrO 2 , on the other hand, stands out as an attractive option for photocatalytic applications due to its outstanding chemical stability, p-type semiconductor characteristics, and ability to absorb visible light. Previous research has demonstrated its capacity to create hydrogen from water and remove metal ions when exposed to visible light [102]. Notably, Mgdoped CuCrO 2 has demonstrated improved photocatalytic hydrogen generation activity.…”
Section: Cucro 2 Delafossite Materialsmentioning
confidence: 99%
“…For this purpose, the atomic positions were optimized, and the electronic properties were computed within the Density Functional Theory (DFT) approach. This was conducted based on the framework of the generalized Kohn–Sham scheme [ 99 , 100 , 101 ] in combination with the projector augmented-wave (PAW) method [ 102 ] and the Heyd–Scuseria–Ernzerhof hybrid functional with the modified fraction of screened short-range Hartree–Fock exchange (HSE06) [ 103 , 104 , 105 ] as implemented in the Vienna ab initio simulation package (VASP) [ 106 , 107 , 108 , 109 , 110 ]. Hybrid functionals allow for a more accurate description of electronic properties of some systems compared to simple DFT calculations with a generalized gradient approximation for the exchange and correlation term in the Kohn–Sham scheme.…”
Section: Theoretical Insightmentioning
confidence: 99%