40 citations · 199 across the 8 of their papers we have counts for
8 papers
Different strategies for GaN-MoS2 and GaN-WS2 core-shell nanowire growth
Edgars Butanovs, Kevon Kadiwala, Aleksejs Gopejenko +3
One-dimensional (1D) nanostructures - nanowires (NWs) - exhibit promising properties for integration in different types of functional devices. Their properties can be enhanced even…
Ab initio simulations of oxygen interaction with surfaces and interfaces in uranium mononitride
D. Bocharov, D. Gryaznov, Yu. F. Zhukovskii +1
The results of DFT supercell calculations of oxygen behavior upon the UN (001) and (110) surfaces as well as at the tilt grain boundary are presented. Oxygen adsorption, migration,…
Ab initio modelling of UN grain boundary interfaces
Eugene A. Kotomin, Yuri F. Zhukovkii, Dmitry Bocharov +1
The uranium mononitride (UN) is a material considered as a promising candidate for Generation-IV nuclear reactor fuels. Unfortunately, oxygen in air affects UN fuel performance and…
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…