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CO2 stability on the Ni low-index surfaces: van der Waals corrected DFT analysis

Catalysis communications, 2016-05, Vol.80, p.33-38

2016

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Titanium-related color centers in diamond: a density functional theory prediction

Journal of materials chemistry. C, Materials for optical and electronic devices, 2018, Vol.6 (19), p.5261-5268

2018

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Exceptional Sorption of Heavy Metals from Natural Water by Halloysite Particles: A New Prospect of Highly Efficient Water Remediation

Nanomaterials (Basel, Switzerland), 2023-03, Vol.13 (7), p.1162

2023

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Ab initio prediction of strong interfacial bonding in the Fe|Al bimetallic composite system

Scripta materialia, 2020-03, Vol.177, p.162-165

2020

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Sustainable hydrogen production by plasmonic thermophotocatalysis

Catalysis today, 2021-11, Vol.380, p.156-186

2021

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Graphene–Iron(II) Phthalocyanine Hybrid Systems for Scalable Molecular Spintronics

Journal of physical chemistry. C, 2020-12, Vol.124 (50), p.27645-27655

2020

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Stress-induced changes in phonon frequencies of ZrSiO4: Infrared spectroscopy-based pressure sensor

Solid state communications, 2022-12, Vol.357, p.114983, Article 114983

2022

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Catalytic activity of NiO cathode in molten carbonate fuel cells

Applied catalysis. B, Environmental, 2018-03, Vol.222, p.73-75

2018

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Transition-Metal-Related Quantum Emitters in Wurtzite AlN and GaN

ACS nano, 2024-10, Vol.18 (42), p.28724-28734

2024

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Electronic structure of substitutionally doped diamond: Spin-polarized, hybrid density functional theory analysis

Diamond and related materials, 2017-05, Vol.75, p.146-151

2017

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Atomistic Origins of Various Luminescent Centers and n‑Type Conductivity in GaN: Exploring the Point Defects Induced by Cr, Mn, and O through an Ab Initio Thermodynamic Approach

Chemistry of materials, 2024-07, Vol.36 (13), p.6392-6409

2024

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Insight on the Interaction of Methanol-Selective Oxidation Intermediates with Au- or/and Pd-Containing Monometallic and Bimetallic Core@Shell Catalysts

Langmuir, 2016-08, Vol.32 (30), p.7493-7502

2016

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Supported Plasmonic Nanocatalysts for Hydrogen Production by Wet and Dry Photoreforming of Biomass and Biogas Derived Compounds: Recent Progress and Future Perspectives

ChemCatChem, 2021-11, Vol.13 (21), p.4458-4496

2021

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Toward a Comprehensive Understanding of Enhanced Photocatalytic Activity of the Bimetallic PdAu/TiO2 Catalyst for Selective Oxidation of Methanol to Methyl Formate

ACS applied materials & interfaces, 2017-09, Vol.9 (37), p.31825-31833

2017

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Zero carbon footprint hydrogen generation by photoreforming of methanol over Cu/TiO2 nanocatalyst

Chemical engineering journal (Lausanne, Switzerland : 1996), 2023-10, Vol.474, p.145687, Article 145687

2023

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Atomistic insight into the electrode reaction mechanism of the cathode in molten carbonate fuel cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (26), p.13763-13768

2017

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Ab-initio calculation of point defect equilibria during heat treatment: Nitrogen, hydrogen, and silicon doped diamond

Diamond and related materials, 2022-06, Vol.126, p.109072, Article 109072

2022

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Decomposition of activated CO2 species on Ni(110): Role of surface diffusion in the reaction mechanism

Catalysis communications, 2016-01, Vol.74, p.65-70

2016

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Scandium-based point defect in AlN for quantum information processing

Physical review. B, 2024-09, Vol.110 (12), Article 125116

2024

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Atomistic insight into the electrode reaction mechanism of the cathode in molten carbonate fuel cellsElectronic supplementary information (ESI) available: Detailed geometries of species considered in this study. See DOI: 10.1039/c7ta02011b

2017-07

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Formation of ReS2/ReO3 semiconductor-metal heterostructure boosts electrocatalytic performance of pristine ReS2 nanoparticles in hydrogen evolution reaction

Applied materials today, 2023-06, Vol.32, p.101781, Article 101781

2023

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Atomic-scale computational design of hydrophobic RE surface-doped Al 2 O 3 and TiO 2

Physical chemistry chemical physics : PCCP, 2017-08, Vol.19 (31), p.21119-21126

2017

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Atomic-scale computational design of hydrophobic RE surface-doped Al2O3 and TiO2

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (31), p.21119-21126

2017

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Hydrogen passivation of vacancies in diamond: Electronic structure and stability from ab initio calculations

MRS advances, 2017-01, Vol.2 (5), p.309-314

2017

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Toward a Comprehensive Understanding of Enhanced Photocatalytic Activity of the Bimetallic PdAu/TiO 2 Catalyst for Selective Oxidation of Methanol to Methyl Formate

ACS applied materials & interfaces, 2017-09, Vol.9 (37), p.31825-31833

2017

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CO2 stability on the Ni low-index surfaces: van der Waals corrected DFT analysis

Titanium-related color centers in diamond: a density functional theory prediction

Exceptional Sorption of Heavy Metals from Natural Water by Halloysite Particles: A New Prospect of Highly Efficient Water Remediation

Ab initio prediction of strong interfacial bonding in the Fe|Al bimetallic composite system

Sustainable hydrogen production by plasmonic thermophotocatalysis

Graphene–Iron(II) Phthalocyanine Hybrid Systems for Scalable Molecular Spintronics

Stress-induced changes in phonon frequencies of ZrSiO4: Infrared spectroscopy-based pressure sensor

Catalytic activity of NiO cathode in molten carbonate fuel cells

Transition-Metal-Related Quantum Emitters in Wurtzite AlN and GaN

Electronic structure of substitutionally doped diamond: Spin-polarized, hybrid density functional theory analysis

Atomistic Origins of Various Luminescent Centers and n‑Type Conductivity in GaN: Exploring the Point Defects Induced by Cr, Mn, and O through an Ab Initio Thermodynamic Approach

Insight on the Interaction of Methanol-Selective Oxidation Intermediates with Au- or/and Pd-Containing Monometallic and Bimetallic Core@Shell Catalysts

Supported Plasmonic Nanocatalysts for Hydrogen Production by Wet and Dry Photoreforming of Biomass and Biogas Derived Compounds: Recent Progress and Future Perspectives

Toward a Comprehensive Understanding of Enhanced Photocatalytic Activity of the Bimetallic PdAu/TiO2 Catalyst for Selective Oxidation of Methanol to Methyl Formate

Zero carbon footprint hydrogen generation by photoreforming of methanol over Cu/TiO2 nanocatalyst

Atomistic insight into the electrode reaction mechanism of the cathode in molten carbonate fuel cells

Ab-initio calculation of point defect equilibria during heat treatment: Nitrogen, hydrogen, and silicon doped diamond

Decomposition of activated CO2 species on Ni(110): Role of surface diffusion in the reaction mechanism

Scandium-based point defect in AlN for quantum information processing

Atomistic insight into the electrode reaction mechanism of the cathode in molten carbonate fuel cellsElectronic supplementary information (ESI) available: Detailed geometries of species considered in this study. See DOI: 10.1039/c7ta02011b

Formation of ReS2/ReO3 semiconductor-metal heterostructure boosts electrocatalytic performance of pristine ReS2 nanoparticles in hydrogen evolution reaction

Atomic-scale computational design of hydrophobic RE surface-doped Al 2 O 3 and TiO 2

Atomic-scale computational design of hydrophobic RE surface-doped Al2O3 and TiO2

Hydrogen passivation of vacancies in diamond: Electronic structure and stability from ab initio calculations

Toward a Comprehensive Understanding of Enhanced Photocatalytic Activity of the Bimetallic PdAu/TiO 2 Catalyst for Selective Oxidation of Methanol to Methyl Formate

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