Maxim Shishkin

Tokyo Institute of Technology — Japan

Materials Science · Physical Sciences

19h-index4.3kcitations45works1.02yr avg
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Research Topics

Advancements in Solid Oxide Fuel Cells(18), Electrocatalysts for Energy Conversion(15), Advancements in Battery Materials(9), Advanced Chemical Physics Studies(7), Catalytic Processes in Materials Science(7)

Publications45 total

Evaluation of the onset voltage of water adsorption on Pt(111) surface using density functional theory/implicit model calculations
Surfaces and Interfaces·2025· 3 cited
Electrochemical oxygen evolution catalysis of metal sulfides: a systematic study of electronic effects
Catalysis Science & Technology·2025· 1 cited
Computational analysis of water coverage formation on Pt(111) surface under humid conditions with the effect of applied voltage
Physical Chemistry Chemical Physics·2025
Challenges in Accurate Calculation of Electrochemical Reactions Using First Principles Calculations: Water Adsorption on Pt(111) Surface Under Applied Potential
ECS Meeting Abstracts·2024
Layered Pt-Co alloys: Bulk, surface and nanoparticle analysis, based on DFT
Surface Science·2022· 6 cited
Evaluation of redox potentials of cathode materials of alkali-ion batteries using extended DFT+<i>U</i>+U↑↓ method: The role of interactions between the electrons with opposite spins
The Journal of Chemical Physics·2021· 4 cited
Redox, Magnetic, and Structural Properties of α-NaMnO<sub>2</sub> Cathode Material Analyzed by Fitting-Free DFT+<i>U</i> Calculations, Parameterized by the Linear Response Approach
The Journal of Physical Chemistry C·2021· 10 cited
Phase evolution of electrochemically potassium intercalated graphite
Journal of Materials Chemistry A·2021· 55 citedOpen Access
DFT+<i>U</i> in Dudarev’s formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments
The Journal of Chemical Physics·2019· 32 cited
Correction to “Coke-Tolerant Ni/BaCe<sub>1–<i>x</i></sub>Y<sub><i>x</i></sub>O<sub>3−δ</sub> Anodes for Solid Oxide Fuel Cells: DFT+U Study”
The Journal of Physical Chemistry C·2019Open Access
Theoretical Analysis of Materials, used in Energy Storage Applications: the Quest for Robust and Accurate Computational Methodologies
The Chemical Record·2018· 3 cited
Unraveling the Role of Doping in Selective Stabilization of NaMnO<sub>2</sub> Polymorphs: Combined Theoretical and Experimental Study
Chemistry of Materials·2018· 44 cited
Erratum: Challenges in computational evaluation of redox and magnetic properties of Fe-based sulfate cathode materials of Li- and Na-ion batteries (2017 <i>J. Phys.: Condens. Matter</i> <b>29</b> 215701)
Journal of Physics Condensed Matter·2017· 2 citedOpen Access
Ab Initio Study of Stability of Na<sub>2</sub>Fe<sub>2</sub>(SO<sub>4</sub>)<sub>3</sub>, a High Potential Na-Ion Battery Cathode Material
The Journal of Physical Chemistry C·2017· 27 cited
Challenges in computational evaluation of redox and magnetic properties of Fe-based sulfate cathode materials of Li- and Na-ion batteries
Journal of Physics Condensed Matter·2017· 11 cited
Self-consistent parametrization of DFT +<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math>framework using linear response approach: Application to evaluation of redox potentials of battery cathodes
Physical review. B./Physical review. B·2016· 50 cited
Activation of H2 oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditions
Physical Chemistry Chemical Physics·2014· 11 cited
Direct modeling of the electrochemistry in the three-phase boundary of solid oxide fuel cell anodes by density functional theory: a critical overview
Physical Chemistry Chemical Physics·2013· 47 cited
Solid Oxide Fuel Cells: On the Active Surface State of Nickel‐Ceria Solid Oxide Fuel Cell Anodes During Methane Electrooxidation (Adv. Energy Mater. 6/2013)
Advanced Energy Materials·2013· 3 cited
Coke-Tolerant Ni/BaCe<sub>1–<i>x</i></sub>Y<sub><i>x</i></sub>O<sub>3−δ</sub> Anodes for Solid Oxide Fuel Cells: DFT+U Study
The Journal of Physical Chemistry C·2013· 26 cited
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Frequent Co-authors

Tom Ziegler(17), Hirofumi Sato(10), Georg Kresse(8), Takeo Yamaguchi(5), M.M. De Souza(4), Martijn Marsman(2), F. Fuchs(2), F. Bechstedt(2), Michael Schmid(2), E. Napetschnig(2), П. Варга(2), Vasiliki Papaefthimiou(2), Dimitrios K. Niakolas(2), Michail Athanasiou(2), Yeuk Ting Law(2), Rosa Arrigo(2), Detre Teschner(2), Michael Hävecker(2), Axel Knop‐Gericke(2), Robert Schlögl(2)