Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 8(26), p. 6967-6976, 2024
DOI: 10.1039/d3cp03477a
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DFT+U and quantum Monte Carlo study of electronic and optical properties of AgNiO<sub>2</sub> and AgNi<sub>1−x</sub>Co<sub>x</sub>O<sub>2</sub> delafossite
Journal article published in 2024 by
Hyeondeok Shin 
,
Panchapakesan Ganesh ,
Paul R. C. Kent ,
Anouar Benali ,
Anand Bhattacharya,
Ho Nyung Lee ,
Olle Heinonen ,
Jaron T. Krogel
,
Panchapakesan Ganesh ,
Paul R. C. Kent ,
Anouar Benali ,
Anand Bhattacharya,
Ho Nyung Lee ,
Olle Heinonen ,
Jaron T. Krogel
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Abstract
In addition to the semiconducting phase in AgNi0.66Co0.33O2, it is found that the coexistence of metallic phase when more than x = 0.33 of Co dopant is substituted in the single layer of NiO2 in AgNi0.66Co0.33O2.