1. A comprehensive study of structure and properties of nanocrystalline zinc peroxide. (January 2022) Authors: Bocharov, Dmitry; Chesnokov, Andrei; Chikvaidze, George; Gabrusenoks, Jevgenijs; Ignatans, Reinis; Kalendarev, Robert; Krack, Matthias; Kundzins, Karlis; Kuzmin, Alexei; Mironova-Ulmane, Nina; Pudza, Inga; Puust, Laurits; Sildos, Ilmo; Vasil'chenko, Evgeni; Zubkins, Martins; Purans, Juris Journal: Journal of physics and chemistry of solids Issue: Volume 160(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Ab initio calculations of doped TiO2 anatase (101) nanotubes for photocatalytical water splitting applications. (February 2016) Authors: Lisovski, Oleg; Chesnokov, Andrei; Piskunov, Sergei; Bocharov, Dmitry; Zhukovskii, Yuri F.; Wessel, Michael; Spohr, Eckhard Journal: Materials science in semiconductor processing Issue: Volume 42:Part 1(2016:Feb.) Page Start: 138 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Ab Initio Calculations on the Electronic Structure and Photocatalytic Properties of Two‐Dimensional WS2 (0001) Nanolayers of Varying Thickness. Issue 1 (25th July 2018) Authors: Bocharov, Dmitry; Piskunov, Sergei; Zhukovskii, Yuri F.; Evarestov, Robert A. Other Names: Fomin Vladimir M. guestEditor. Journal: Physica status solidi Issue: Volume 13:Issue 1(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Ab initio simulations on N and S co-doped titania nanotubes for photocatalytic applications. (13th August 2015) Authors: Chesnokov, Andrei; Lisovski, Oleg; Bocharov, Dmitry; Piskunov, Sergei; Zhukovskii, Yuri F; Wessel, Michael; Spohr, Eckhard Journal: Physica scripta Issue: Volume 90:Number 9(2015:Sep.) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Analysis of the U L3-edge X-ray absorption spectra in UO2 using molecular dynamics simulations. (January 2017) Authors: Bocharov, Dmitry; Chollet, Melanie; Krack, Matthias; Bertsch, Johannes; Grolimund, Daniel; Martin, Matthias; Kuzmin, Alexei; Purans, Juris; Kotomin, Eugene Journal: Progress in nuclear energy Issue: Volume 94(2017:Jan.) Page Start: 187 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. First principles modeling of 3d-metal doped three-layer fluorite-structured TiO2 (4, 4) nanotube to be used for photocatalytic hydrogen production. (December 2017) Authors: Bocharov, Dmitry; Piskunov, Sergei; Zhukovskii, Yuri F.; Spohr, Eckhard; D'yachkov, Pavel N. Journal: Vacuum Issue: Volume 146(2017) Page Start: 562 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics. (October 2020) Authors: Bocharov, Dmitry; Anspoks, Andris; Timoshenko, Janis; Kalinko, Aleksandr; Krack, Matthias; Kuzmin, Alexei Journal: Radiation physics and chemistry Issue: Volume 175(2020:Oct.) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations. (May 2016) Authors: Bocharov, Dmitry; Chollet, Melanie; Krack, Matthias; Bertsch, Johannes; Grolimund, Daniel; Martin, Matthias; Kuzmin, Alexei; Purans, Juris; Kotomin, Eugene Journal: Journal of physics Issue: Volume 712(2016) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Local structure of perovskites ReO3 and ScF3 with negative thermal expansion: interpretation beyond the quasiharmonic approximation. (May 2016) Authors: Purans, Juris; Piskunov, Sergei; Bocharov, Dmitry; Kalinko, Aleksandr; Kuzmin, Alexei; Ali, Shehab E.; Rocca, Francesco Journal: Journal of physics Issue: Volume 712(2016) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Negative thermal expansion of ScF3: first principles vs empirical molecular dynamics. (March 2019) Authors: Bocharov, Dmitry; Rafalskij, Yuri; Krack, Matthias; Putnina, Mara; Kuzmin, Alexei Journal: IOP conference series Issue: Volume 503(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗