Ilya Popov
Role
PhD Student
Room
A48
Email
Biography
Ilya obtained his MSci Degree in Chemistry from the Lomonosov Moscow State University in 2019 majoring in Physical Chemistry. During his study, under the supervision of Dr. Andrei Tchougreeff he worked on various scientific projects related to the development and implementation of quantum chemical methods. He then joined Professor Besley's group at Nottingham to pursue a PhD and study catalytic properties of transition metal nanoclusters and transition metal single atoms in solids.
Current Research Project
- Development of hybrid quantum chemical methods to describe transition metal atoms embedded into solids.
- Applying kinetic theories to study nucleation of metal nano-clusters on various surfaces.
- Theoretical study of the sputter deposition methods.
Research Interests
- Development of quantum chemical methods.
- Catalytic properties of single transition metal atoms and nano-clusters.
- Metal nanocluster production and characterization.
- Green's function theory applied to chemical problems.
List of Publications
1.
| Effective hamiltonian of crystal field method for periodic systems containing transition metals. Popov Ilya, Plekhanov Evgeny, Tchougréeff Andrei, Besley Elena. Molecular Physics, 2022, Peter Gill Special Issue, e2106905. DOI: https://doi.org/10.1080/00268976.2022.2106905 |
2.
| Analytical Model of CVD Growth of Graphene on Cu(111) Surface. Popov Ilya, Bügel Patrick, Kozlowska Mariana, Fink Karin, Studt Felix, Sharapa Dmitry I. Nanomaterials, 2022, 12(17), 2963. DOI: https://doi.org/10.3390/nano12172963 |
3.
| Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo. Popov Ilya, Kushnir Timofei, Tchougréeff Andrei. Journal of Computational Chemistry, 2021, 42(32), 2352-2368. DOI: https://doi.org/10.1002/jcc.26766 |
4.
| Minimum atomic parameter basis sets for elements 1–54 in a Hartree–Fock setting. Reinhardt Peter, Popov Ilya, Tchougréeff Andrei. International Journal of Quantum Chemistry, 2021, 121(16), e26687. DOI: https://doi.org/10.1002/qua.26687 |
5.
| Spatial distribution of atomic electronic density for elements 1–54 as coming from a Hartree–Fock treatment within the minimum atomic parameters paradigm. Reinhardt Peter, Popov Ilya, Tchougréeff Andrei. International Journal of Quantum Chemistry, 2021, 121(17), e26690. DOI: https://doi.org/10.1002/qua.26690 |
6.
| Deductive molecular mechanics of four-coordinated carbon allotropes. Popov Ilya, Slavin Viktor, Andrei Tchougréeff, Richard Dronskowski. Physical Chemistry Chemical Physics, 2019, 21, 18138-18148. DOI: https://doi.org/10.1039/C9CP03504D |
7.
| Relative stability of diamond and graphite as seen through bonds and hybridizations. Popov Ilya, Görne Arno, Andrei Tchougréeff, Richard Dronskowski. Physical Chemistry Chemical Physics, 2019, 21, 10961-10969. DOI: https://doi.org/10.1039/c8cp07592a |
8.
| Atomic orbitals revisited: generalized Hydrogen-like basis sets for 2nd row elements. Popov Ilya, Andrei Tchougréeff. Theoretical Chemistry Accounts, 2018, 138, 9. DOI: https://doi.org/10.1007/s00214-018-2386-x |
9.
| Applying group functions to description of ionic liquids. Popov Ilya, Andrei Tchougréeff. Computational and theoretical chemistry, 2017, 1116, 141-150. DOI: https://doi.org/10.1016/j.comptc.2017.04.001 |