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Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2019.112163
Abstract: Abstract Atrazine (ATZ) is a well-known herbicide used in agriculture in most countries and has caused many concerns because of its toxicity. In this work, we have prepared LaTiO3 nanowires that responsive to visible light…
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Keywords:
atrazine;
herbicide;
latio3;
water ... See more keywords
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Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00678
Abstract: We have applied the diffusion quantum Monte Carlo (DMC) method to study the electron confinement and magnetic structure in the (LaTiO3)1/(SrTiO3)5 heterostructure. The DMC results were compared with various density functional theory (DFT) methods, including…
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Keywords:
latio3;
monte carlo;
quantum monte;
latio3 srtio3 ... See more keywords