Electronic and optical properties of pristine, N- and S-doped water-covered TiO2 nanotube surfaces von Kenmoe, S., Lisovski, O., Piskunov, S., Zhukovskii, Y. F., Spohr, E.

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First principles evaluation on photocatalytic suitability of 2H structured and [0001] oriented WS2 nanosheets and nanotubes von Zhukovskii, Y F, Piskunov, S, Evarestov, R A

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Comparative analysis of the electronic structures of mono- and bi-atomic chains of IV, III-V and II-VI group elements calculated using the DFT LCAO and LACW methods von D'yachkov, P. N, Zaluev, V. A, Piskunov, S. N, Zhukovskii, Y. F

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AB Initio Calculations of CUN@Graphene (0001) Nanostructures for Electrocatalytic Applications von Piskunov, S., Zhukovskii, Y. F., Sokolov, M. N., Kleperis, J.

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Atomic and electronic structure of single-walled BN nanotubes containing N vacancies as well as C and O substitutes of N atoms von Zhukovskii, Y. F., Bellucci, S., Piskunov, S., Trinkler, L., Berzina, B.

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Ab initio modeling of sulphur doped TiO2 nanotubular photocatalyst for water-splitting hydrogen generation von Lisovski, O, Piskunov, S, Zhukovskii, Y F, Ozolins, J

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The adhesion properties of the Ag/α-Al2O3(0001) interface: an ab initio study von ZHUKOVSKII, Yu. F, KOTOMIN, E. A, HERSCHEND, B, HERMANSSON, K, JACOBS, P. W. M

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On the mechanism of the interaction between oxygen and close-packed single-crystal aluminum surfaces von Zhukovskii, Yu.F, Jacobs, P.W.M, Causá, M

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Adhesion trends and growth mode of ultra-thin copper films on MgO von Zhukovskii, Yuri F, Kotomin, Eugene A, Fuks, David, Dorfman, Simon, Stoneham, A Marshall, Borstel, Gunnar

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AB Initio Calculations of CU N @Graphene (0001) Nanostructures for Electrocatalytic Applications von Piskunov, S., Zhukovskii, Y. F., Sokolov, M. N., Kleperis, J.

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First principles evaluation on photocatalytic suitability of 2 H structured and [0001] oriented WS 2 nanosheets and nanotubes von Zhukovskii, Y F, Piskunov, S, Evarestov, R A

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Characterization of the Metal−Ceramic Bonding in the Ag/MgO(001) Interface from ab Initio Calculations von Herschend, Björn, Hermansson, Kersti, Alfredsson, Maria, Zhukovskii, Yuri F, Kotomin, Eugene A, Jacobs, Patrick W. M

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Comparative theoretical study of the Ag–MgO (100) and (110) interfaces von Zhukovskii, Yu.F., Kotomin, E.A., Jacobs, P.W.M., Stoneham, A.M., Harding, J.H.

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Electronic and optical properties of pristine, N- and S-doped water-covered TiO 2 nanotube surfaces von Kenmoe, S, Lisovski, O, Piskunov, S, Zhukovskii, Y F, Spohr, E

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Modelling of silver adhesion on MgO(100) surface with defects von Zhukovskii, Yu F, Kotomin, E A, Jacobs, P W M, Stoneham, A M, Harding, J H

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Ab initio simulations of silver film adhesion on α-Al2O3 (0 0 0 1) and MgO (1 0 0) surfaces von Zhukovskii, Yu.F, Alfredsson, M, Hermansson, K, Heifets, E, Kotomin, E.A

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Effect of electron correlation corrections on phase competition in Ag film on MgO substrate von Fuks, David, Dorfman, Simon, Zhukovskii, Yuri F., Kotomin, Eugene A., Marshall Stoneham, A.

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Ab initio Calculations of Copper Nanostructures of MgO Substrate von Sychev, O., Zhukovskii, Y.F., Kotomin, Eugene A., Borstel, G.

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Ab Initio Modelling of Metal Adhesion to Ceramics with Surface Defects von Kotomin, E.A., Zhukovskii, Y.F.

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Ab initio modeling of sulphur doped TiO sub(2) nanotubular photocatalyst for water-splitting hydrogen generation von Lisovski, O, Piskunov, S, Zhukovskii, Y F, Ozolins, J

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