1. BaCoO3 monoclinic structure and chemical bonding analysis: hybrid DFT calculations. Issue 32 (6th August 2021) Authors: Zvejnieks, Guntars; Zavickis, Davis; Kotomin, Eugene A.; Gryaznov, Denis Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 32(2021) Page Start: 17493 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Charged oxygen interstitials in corundum: first principles simulations. Issue 10 (9th August 2016) Authors: Platonenko, Alexander; Gryaznov, Denis; Piskunov, Sergei; Zhukovskii, Yuri F.; Kotomin, Eugene A. Journal: Physica status solidi Issue: Volume 13:Issue 10-12(2016) Page Start: 932 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Confinement effects for the F center in non‐stoichiometric BaZrO3 ultrathin films. Issue 1 (25th November 2014) Authors: Arrigoni, Marco; Kotomin, Eugene; Gryaznov, Denis; Maier, Joachim Journal: Physica status solidi Issue: Volume 252:Issue 1(2015:Jan.) Page Start: 139 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Electrochemical Performance of NASICON-structured Na3-x V2-xTix(PO4)3 (0.0 < x < 1.0) as aqueous Na-ion battery positive electrodes. (20th August 2022) Authors: Petrulevičienė, Milda; Pilipavičius, Jurgis; Juodkazytė, Jurga; Gryaznov, Denis; Vilčiauskas, Linas Journal: Electrochimica acta Issue: Volume 424(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. First Principles Simulations on Migration Paths of Oxygen Interstitials in MgAl2O4. Issue 5 (23rd October 2018) Authors: Platonenko, Alexander; Gryaznov, Denis; Zhukovskii, Yuri F.; Kotomin, Eugene A. Journal: Physica status solidi Issue: Volume 256:Issue 5(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. First-principles calculations of oxygen interstitials in corundum: a site symmetry approach. Issue 37 (11th September 2017) Authors: Evarestov, Robert A.; Platonenko, Alexander; Gryaznov, Denis; Zhukovskii, Yuri F.; Kotomin, Eugene A. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 37(2017) Page Start: 25245 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Hybrid density functional theoretical study of NASICON-type NaxTi2(PO4)3 (x = 1–4). Issue 21 (20th May 2020) Authors: Gryaznov, Denis; Stauffer, Shannon K.; Kotomin, Eugene A.; Vilčiauskas, Linas Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 21(2020) Page Start: 11861 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Interface-induced enhancement of piezoelectricity in the (SrTiO3)m/(BaTiO3)M−m superlattice for energy harvesting applications. Issue 42 (16th October 2019) Authors: Zvejnieks, Guntars; Rusevich, Leonid L.; Gryaznov, Denis; Kotomin, Eugene A. Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 42(2019) Page Start: 23541 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. The local atomic structure and thermoelectric properties of Ir-doped ZnO: hybrid DFT calculations and XAS experiments. Issue 14 (31st March 2021) Authors: Chesnokov, Andrei; Gryaznov, Denis; Skorodumova, Natalia V.; Kotomin, Eugene A.; Zitolo, Andrea; Zubkins, Martins; Kuzmin, Alexei; Anspoks, Andris; Purans, Juris Journal: Journal of materials chemistry Issue: Volume 9:Issue 14(2021) Page Start: 4948 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO3 based on first principles phonon calculations. Issue 32 (27th July 2015) Authors: Bjørheim, Tor S.; Arrigoni, Marco; Gryaznov, Denis; Kotomin, Eugene; Maier, Joachim Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 32(2015) Page Start: 20765 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗