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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, 2017-06, Vol.29 (21), p.215701-215701

2017

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Ab Initio Study of Stability of Na2Fe2(SO4)3, a High Potential Na-Ion Battery Cathode Material

Journal of physical chemistry. C, 2017-09, Vol.121 (37), p.20067-20074

2017

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Phase evolution of electrochemically potassium intercalated graphite

Journal of materials chemistry. A, Materials for energy and sustainability, 2021-01, Vol.9 (18), p.11187-112

2021

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Erratum: Challenges in computational evaluation of redox and magnetic properties of Fe-based sulfate cathode materials of Li- and Na-ion batteries (2017 J. Phys.: Condens. Matter 29 215701)

Journal of physics. Condensed matter, 2017-10, Vol.29 (45), p.459601

2017

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Theoretical Analysis of Materials, used in Energy Storage Applications: the Quest for Robust and Accurate Computational Methodologies

Chemical record, 2019-04, Vol.19 (4), p.779-791

2019

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Unraveling the Role of Doping in Selective Stabilization of NaMnO2 Polymorphs: Combined Theoretical and Experimental Study

Chemistry of materials, 2018-02, Vol.30 (4), p.1257-1264

2018

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The Oxidation of H2 and CH4 on an Oxygen-Enriched Yttria-Stabilized Zirconia Surface: A Theoretical Study Based on Density Functional Theory

Journal of physical chemistry. C, 2008-12, Vol.112 (49), p.19662-19669

2008

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Structure of the Ultrathin Aluminum Oxide Film on NiAl(110)

Science (American Association for the Advancement of Science), 2005-06, Vol.308 (5727), p.1440-1442

2005

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On the Active Surface State of Nickel-Ceria Solid Oxide Fuel Cell Anodes During Methane Electrooxidation

Advanced energy materials, 2013-06, Vol.3 (6), p.762-769

2013

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Redox, Magnetic, and Structural Properties of α-NaMnO 2 Cathode Material Analyzed by Fitting-Free DFT+ U Calculations, Parameterized by the Linear Response Approach

Journal of physical chemistry. C, 2021-01, Vol.125 (2), p.1531-1543

2021

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Ab Initio Study of Stability of Na 2 Fe 2 (SO 4 ) 3 , a High Potential Na-Ion Battery Cathode Material

Journal of physical chemistry. C, 2017-09, Vol.121 (37), p.20067-20074

2017

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Self-consistent parametrization of DFT + U framework using linear response approach: Application to evaluation of redox potentials of battery cathodes

Physical review. B, 2016-02, Vol.93 (8), Article 085135

2016

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Layered Pt-Co alloys: Bulk, surface and nanoparticle analysis, based on DFT

Surface science, 2022-07, Vol.721, p.122082, Article 122082

2022

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Evaluation of redox potentials of cathode materials of alkali-ion batteries using extended DFT+U+U↑↓ method: The role of interactions between the electrons with opposite spins

The Journal of chemical physics, 2021-03, Vol.154 (11), p.114709-114709

2021

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Redox, Magnetic, and Structural Properties of α‑NaMnO2 Cathode Material Analyzed by Fitting-Free DFT+U Calculations, Parameterized by the Linear Response Approach

Journal of physical chemistry. C, 2021-01, Vol.125 (2), p.1531-1543

2021

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Unraveling the Role of Doping in Selective Stabilization of NaMnO 2 Polymorphs: Combined Theoretical and Experimental Study

Chemistry of materials, 2018-02, Vol.30 (4), p.1257-1264

2018

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The Oxidation of H 2 and CH 4 on an Oxygen-Enriched Yttria-Stabilized Zirconia Surface: A Theoretical Study Based on Density Functional Theory

Journal of physical chemistry. C, 2008-12, Vol.112 (49), p.19662-19669

2008

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Determining Optimal Mining Work Size on the OpenCL Platform for the Ethereum Cryptocurrency

International journal on advanced science, engineering and information technology, 2019-10, Vol.9 (5), p.1528-1534

2019

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Activation of H2 oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditions

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (20), p.9383

2014

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Activation of H2 oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp53377h

2014-04

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Activation of H sub(2) oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditions

Physical chemistry chemical physics : PCCP, 2014-04, Vol.16 (20), p.9383-9393

2014

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Interstitial oxygens and cation deficiency in Mo-doped ceria, an anode material for SOFCs

Journal of materials chemistry. A, Materials for energy and sustainability, 2013-01, Vol.1 (29), p.8344-8347

2013

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Performance Measures of Emergency Services in Case of Overload

Distributed Computer and Communication Networks, p.436-449

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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, 2013-06, Vol.3 (6), p.690-690

2013

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Sodium-Ion Batteries: On the Active Surface State of Nickel-Ceria Solid Oxide Fuel Cell Anodes During Methane Electrooxidation (Adv. Energy Mater. 6/2013)

Advanced energy materials, 2013-06, Vol.3 (6), p.690

2013

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Challenges in computational evaluation of redox and magnetic properties of Fe-based sulfate cathode materials of Li- and Na-ion batteries

Ab Initio Study of Stability of Na2Fe2(SO4)3, a High Potential Na-Ion Battery Cathode Material

Phase evolution of electrochemically potassium intercalated graphite

Erratum: Challenges in computational evaluation of redox and magnetic properties of Fe-based sulfate cathode materials of Li- and Na-ion batteries (2017 J. Phys.: Condens. Matter 29 215701)

Theoretical Analysis of Materials, used in Energy Storage Applications: the Quest for Robust and Accurate Computational Methodologies

Unraveling the Role of Doping in Selective Stabilization of NaMnO2 Polymorphs: Combined Theoretical and Experimental Study

The Oxidation of H2 and CH4 on an Oxygen-Enriched Yttria-Stabilized Zirconia Surface: A Theoretical Study Based on Density Functional Theory

Structure of the Ultrathin Aluminum Oxide Film on NiAl(110)

On the Active Surface State of Nickel-Ceria Solid Oxide Fuel Cell Anodes During Methane Electrooxidation

Redox, Magnetic, and Structural Properties of α-NaMnO 2 Cathode Material Analyzed by Fitting-Free DFT+ U Calculations, Parameterized by the Linear Response Approach

Ab Initio Study of Stability of Na 2 Fe 2 (SO 4 ) 3 , a High Potential Na-Ion Battery Cathode Material

Self-consistent parametrization of DFT + U framework using linear response approach: Application to evaluation of redox potentials of battery cathodes

Layered Pt-Co alloys: Bulk, surface and nanoparticle analysis, based on DFT

Evaluation of redox potentials of cathode materials of alkali-ion batteries using extended DFT+U+U↑↓ method: The role of interactions between the electrons with opposite spins

Redox, Magnetic, and Structural Properties of α‑NaMnO2 Cathode Material Analyzed by Fitting-Free DFT+U Calculations, Parameterized by the Linear Response Approach

Unraveling the Role of Doping in Selective Stabilization of NaMnO 2 Polymorphs: Combined Theoretical and Experimental Study

The Oxidation of H 2 and CH 4 on an Oxygen-Enriched Yttria-Stabilized Zirconia Surface: A Theoretical Study Based on Density Functional Theory

Determining Optimal Mining Work Size on the OpenCL Platform for the Ethereum Cryptocurrency

Activation of H2 oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditions

Activation of H2 oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp53377h

Activation of H sub(2) oxidation at sulphur-exposed Ni surfaces under low temperature SOFC conditions

Interstitial oxygens and cation deficiency in Mo-doped ceria, an anode material for SOFCs

Performance Measures of Emergency Services in Case of Overload

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)

Sodium-Ion Batteries: On the Active Surface State of Nickel-Ceria Solid Oxide Fuel Cell Anodes During Methane Electrooxidation (Adv. Energy Mater. 6/2013)

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