Dr Pavel Stishenko

2025

• Hourahine, B. et al., 2025. Recent developments in DFTB+, a software package for efficient atomistic quantum mechanical simulations. The Journal of Physical Chemistry A 129 (24), pp.5373-5390. (10.1021/acs.jpca.5c01146)
• Tabut, M. , Stishenko, P. V. and Calatayud, M. 2025. Modeling the self-assembly of L-cysteine molecules on the Au(111) surface: A lattice model approach. Surface Science 757 122740. (10.1016/j.susc.2025.122740)

2024

• Lindley, M. et al., 2024. Tuning the size of TiO2-supported Co nanoparticle Fischer-Tropsch catalysts using Mn additions. ACS Catalysis 14 , pp.10648–10657. (10.1021/acscatal.4c02721)
• Stishenko, P. et al. 2024. Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations. The Journal of Chemical Physics 161 (1) 012502. (10.1063/5.0209742)

2023

• Bramley, G. A. et al. 2023. The application of QM/MM simulations in heterogeneous catalysis. Physical Chemistry Chemical Physics 25 (9), pp.6562-6585. (10.1039/d2cp04537k)
• Stishenko, P. V. et al. 2023. Atomic Simulation Interface (ASI): application programming interface for electronic structure codes. The Journal of Open Source Software 8 (85) 5186. (10.21105/joss.05186)

2022

• Gorbunov, V. A. et al., 2022. Metal-organic coordination networks on a titanium carbide MXene: DFT based grand canonical Monte Carlo simulation. Applied Surface Science 598 153834. (10.1016/j.apsusc.2022.153834)
• Kayumova, T. R. , Myshlyavtsev, A. V. and Stishenko, P. V. 2022. Phase diagrams of the terminating oxygen layer on MXenes M2CO sheets (M = Ti, V, Nb). Journal of Physics: Conference Series 2182 (1) 012075. (10.1088/1742-6596/2182/1/012075)
• Kayumova, T. R. et al., 2022. Surface hydrogenation of oxygen terminated MXenes M2CO2 (M = Ti, V, Nb). Surface Science 717 121984. (10.1016/j.susc.2021.121984)

2021

• Fadeeva, A. I. et al., 2021. Melting of Fe-terephthalate layers on Cu(100) surface with randomly distributed point defects. Applied Surface Science 545 148989. (10.1016/j.apsusc.2021.148989)

2020

• Akimenko, S. S. et al., 2020. SuSMoST: Surface Science Modeling and Simulation Toolkit. Journal of Computational Chemistry 41 (23), pp.2084-2097. (10.1002/jcc.26370)
• Fadeeva, A. I. et al., 2020. Homologous series of flower phases in metal-organic networks on Au(111) surface. Journal of Physical Chemistry C 124 (21), pp.11506–11515. (10.1021/acs.jpcc.0c02527)
• Saverina, E. A. et al., 2020. 2-Carboxyethylgermanium Sesquioxide as a promising anode material for Li-Ion batteries. ChemSusChem 13 (12), pp.3137-3146. (10.1002/cssc.202000852)
• Saverina, E. A. et al., 2020. Cover feature: 2-Carboxyethylgermanium Sesquioxide as a promising anode material for Li-Ion batteries (ChemSusChem 12/2020). ChemSusChem 13 (12) 3057. (10.1002/cssc.202001278)

2019

• Akimenko, S. S. et al., 2019. Tensor renormalization group study of hard-disk models on a triangular lattice. Physical Review E 100 (2) 022108. (10.1103/PhysRevE.100.022108)
• Fadeeva, A. I. et al., 2019. Model of Fe-Terephthalate ordering on Cu(100). Journal of Physical Chemistry C 123 (28), pp.17265–17272. (10.1021/acs.jpcc.9b02834)
• Stishenko, P. V. and Kayumova, T. R. 2019. Investigate of lateral interactions between ammonia molecules adsorbed on a V3C2 MXenes sheet of DFT study and statistical physics. Presented at: Oil and Gas Engineering (OGE-2019) 26–28 February 2019. Published in: Myshlyavtsev, A. V. , Likholobov, V. A. and Yusha, V. L. eds. AIP Conference Proceedings. Vol. 2151.AIP. (10.1063/1.5122041)

2018

• Akimenko, S. S. et al., 2018. Remnants of the devil's staircase of phase transitions in the model of dimer adsorption at nonzero temperature. Physical Review B 97 (8) 085408. (10.1103/PhysRevB.97.085408)
• Fadeeva, A. I. , Gorbunov, V. A. and Stishenko, P. V. 2018. Modeling of self-assembling monolayer of terephthalic acid and iron on the copper surface: intermolecular interactions and the ground state. Presented at: 2018 International Scientific Conference on Oil and Gas Engineering (OGE) Omsk, Russian Federation 26 February - 02 March 2018. Vol. 2007.American Institute of Physics. (10.1063/1.5051848)
• Kayumova, T. R. and Stishenko, P. V. 2018. Qualitative DFT study of lateral interactions between nitrogen molecules adsorbed on a V3C2 MXene sheet. Presented at: 2018 International Scientific Conference on Oil and Gas Engineering (OGE) Omsk, Russian Federation 26 February - 02 March 2018. Vol. 2007.American Institute of Physics. , pp.020014. (10.1063/1.5051853)

2017

• Korobeishchikov, N. G. et al., 2017. Interaction of accelerated argon cluster ions with a silicon dioxide surface. Presented at: 2017 International Scientific Conference on Oil and Gas Engineering (OGE) Omsk, Russian Federation 24-28 April 2017. Vol. 1876.American Institute of Physics. , pp.020064. (10.1063/1.4998884)
• Myshlyavtsev, A. V. , Stishenko, P. V. and Svalova, A. I. 2017. A systematic computational study of the structure crossover and coordination number distribution of metallic nanoparticles. Physical Chemistry Chemical Physics 19 (27), pp.17895-17903. (10.1039/C6CP07571A)
• Stishenko, P. and Svalova, A. 2017. Computer simulation of formation and decomposition of Au13 nanoparticles. Presented at: 2017 International Scientific Conference on Oil and Gas Engineering (OGE) Omsk, Russian Federation 24-28 April 2017. Vol. 1876.American Institute of Physics. , pp.020002. (10.1063/1.4998822)

2016

• Akimenko, S. S. et al., 2016. Generalized lattice-gas model for adsorption of functional organic molecules in terms of pair directional interactions. Physical Review E 93 (6) 062804. (10.1103/PhysRevE.93.062804)
• Fefelov, V. F. et al., 2016. Monte Carlo study of adsorption of additive gas mixture. Adsorption 22 (4-6), pp.673–680. (10.1007/s10450-015-9753-x)
• Svalova, A. and Stishenko, P. 2016. Distribution of active site types on Au nanoparticles with different structures: study of thermal dependence. Procedia Engineering 152 , pp.67-72. (10.1016/j.proeng.2016.07.629)

2015

• Myshlyavtsev, A. V. and Stishenko, P. V. 2015. Potential of lateral interactions of CO on Pt (111) fitted to recent STM images. Surface Science 642 , pp.51-57. (10.1016/j.susc.2015.08.018)
• Svalova, A. I. and Stishenko, P. V. 2015. The statistical modeling of the platinum nanoparticles in the transition area from the five-fold symmetry structure to the crystal lattice. Procedia Engineering 113 , pp.429-434. (10.1016/j.proeng.2015.07.321)

2013

• Myshlyavtsev, A. V. and Stishenko, P. V. 2013. Relative stability of icosahedral and cuboctahedral metallic nanoparticles. Adsorption 19 (2-4), pp.795–801. (10.1007/s10450-013-9519-2)

2010

• Myshlyavtsev, A. V. and Stishenko, P. V. 2010. Monte Carlo model of CO adsorption on supported Pt nanoparticle. Applied Surface Science 256 (17), pp.5376-5380. (10.1016/j.apsusc.2009.12.084)