Alexey Maltsev
Research interests:
- Density Functional Theory and quantum chemical calculations;
- Electronic structures, structure prediction and bond analysis;
- Mechanisms of catalytic hydrogen sorption reactions;
- Hydrogen energy and hydrogen storage materials;
- Rechargeable li-ions and lithium batteries, anode materials and electrolytes.
Publications:
1. Maltsev A.P., Charkin O.P. // Theoretical Modeling of Stepwise Addition of H2 Molecules to Magnesium Clusters Mg18 and Mg17Ni // Russ. J. Inorg. Chem., 2020, 65, 185–192 https://doi.org/10.1134/S0036023620020114
2. Maltsev A.P., Charkin O.P. // Theoretical Modeling of Addition of H2 Molecules to Magnesium Clusters Mg17L doped with 3d-transition metals // Russ. J. Inorg. Chem., 2020 V.65, N.8, P. 1204–1212 https://doi.org/10.1134/S0036023620080100
3. O.P. Charkin, A.P. Maltsev // Density Functional Theory Modeling of Reactions of Addition of H 2 Molecules to Magnesium Clusters Mg 17 M Doped with Atoms M of Transition 3d Elements// J. Phys. Chem. A, 2021, 125, 2308–2315 https://doi.org/10.1021/acs.jpca.1c00211
4. A.P. Maltsev, O.P. Charkin // Theoretical Modeling of Exo- and Endohedral Hydrogenation Reactions of the Doped Magnesium Cluster Mg17Ni // Russ. J. Inorg. Chem., 2021, 66, 12, 1860–1876 https://doi.org/10.1134/S0036023621120111
