Graphene | MPX3 materials | Oxides | Complex systems | Solid-state QC
Graphene
Invited topical review on the graphene growth and properties on metal substrates
Yu. S. Dedkov and E. N. Voloshina, “Graphene growth and properties on metal substrates”, J. Phys.: Condens. Matter 27, 303002 (2015).
MPX3 materials
Review of methods for controllable modification of electronic and magnetic properties of MPX3 materials
Yu. Dedkov and E. Voloshina, “Beyond pristine layers: Engineering van der Waals MPX3 materials (M: transition metal, X: chalcogen) via defects, adsorption, and intercalation”, Small Sci. 5, e2500307 (2025).
Oxides
Structure and electronic properties of SrTiO3-TiO2 eutectic
Y. Guo, H. M. Zeeshan, M. Yan, W. Qin, W. Yang, S. Cao, Y. Dedkov, E. Voloshina, “Structure and electronic properties of SrTiO3-TiO2 eutectic for water splitting applications”, Adv. Energy Sustainability Res. 4, 202300136 (2023).
Complex systems
Surface magnetism of a paramagnetic YCo2
Yu. S. Dedkov, C. Laubschat, S. Khmelevskyi, J. Redinger, P. Mohn, and M. Weinert, “YCo2: Intrinsic magnetic surface of a paramagnetic bulk material”, Phys. Rev. Lett. 99, 047204 (2007)
Solid-State Quantum Chemistry
Systematic application of the multireference incremental scheme for evaluation of cohesive properties of a bulk metal
E. Voloshina and B. Paulus, “First multireference correlation treatment of bulk metals”, J. Chem. Theory Comput. 10, 1698 (2014)
