0000000000086066

AUTHOR

Andrew Chesnokov

showing 2 related works from this author

Use of site symmetry in supercell models of defective crystals: Polarons in CeO2

2017

The authors thank R. Merkle and G. W. Watson for stimulating discussions. E. K. also acknowledges partial financial support from the Russian Science Foundation for the study of charged defects under the project 14-43-00052. A. C. also acknowledges financial support from the University of Latvia Foundation (Arnis Riekstins's "MikroTik" donation). E. K. and D. G. express their gratitude to the High Performance Computer Centre in Stuttgart (HLRS, project DEFTD 12939) for the provided computer facilities whereas R. A. E. thanks the St. Petersburg State University Computer Center for assistance in high-performance calculations.

PhysicspolaronCondensed matter physicssite symmetryGeneral Physics and Astronomy02 engineering and technologyoxygen vacancy021001 nanoscience & nanotechnologyPolaron01 natural sciencesCrystallographic defectSymmetry (physics)Condensed Matter::Materials SciencePerfect crystalLinear combination of atomic orbitalsPosition (vector)Vacancy defect0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Wyckoff positionsPhysical and Theoretical Chemistry010306 general physics0210 nano-technologyfirst principles calculationsCeO2
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A Universal Approach to Quantify Overpotential-Dependent Selectivity Trends for the Competing Oxygen Evolution and Peroxide Formation Reactions : A C…

2021

In this article, we study the competing oxygen evolution and hydrogen peroxide (H2O2) formation reactions for periodic models of graphene with different active-site concentrations by means of densi...

GrapheneOxygen evolutionChemie02 engineering and technologyOverpotential010402 general chemistry021001 nanoscience & nanotechnologyPhotochemistry01 natural sciencesPeroxide3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialslaw.inventionchemistry.chemical_compoundGeneral EnergychemistrylawElectrodePhysical and Theoretical Chemistry0210 nano-technologySelectivityHydrogen peroxide
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