30 citations · 57 across the 3 of their papers we have counts for
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Electronic charge redistribution in LaAlO(001) thin films deposited at SrTiO(001) substrate: First principles analysis and the role of stoichiometry
Alexandre Sorokine, Dmitry Bocharov, Sergei Piskunov +1
We present a comprehensive first-principles study of the electronic charge redistribution in atomically sharp LaAlO/SrTiO(001) heterointerfaces of both n- and p-types allow…
Chemisorption of a molecular oxygen on the UN (001) surface: ab initio calculations
Yuri F. Zhukovskii, Dmitry Bocharov, Eugene A. Kotomin
The results of DFT GGA calculations on oxygen molecules adsorbed upon the (001) surface of uranium mononitride (UN) are presented and discussed. We demonstrate that O2 molecules or…
First principles calculations of oxygen adsorption on the UN (001) surface
Yuri F. Zhukovskii, Dmitry Bocharov, Eugene Kotomin +2
Fabrication, handling and disposal of nuclear fuel materials require comprehensive knowledge of their surface morphology and reactivity. Due to unavoidable contact with air compone…