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Tailoring the refractive index of single layer touching circular metamaterial by adjusting the dielectric thickness

Materials letters, 2023-10, Vol.349, p.134726, Article 134726

2023

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DFT and microkinetic investigation of methanol synthesis via CO2 hydrogenation on Ni(111)-based surfaces

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (36), p.20276-20286

2019

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Microkinetic Modeling of CO2 Hydrogenation to Formic Acid on Transition Metal Doped Ni(111) Surface

Journal of physics. Conference series, 2023-12, Vol.2673 (1), p.012002

2023

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A Theoretical Study of Ligand Effects on the Electronic Structures of Ligated Zinc Porphyrin using Density Functional Theory

Shinkū, 2014, Vol.57 (3), p.102-110

2014

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Hollow Zinc Oxide Microsphere–Multiwalled Carbon Nanotube Composites for Selective Detection of Sulfur Dioxide

ACS applied nano materials, 2020-09, Vol.3 (9), p.8982-8996

2020

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Selectivity of CO2 reduction reaction to CO on the graphitic edge active sites of Fe-single-atom and dual-atom catalysts: A combined DFT and microkinetic modeling

Carbon resources conversion, 2024-03, Vol.7 (1), p.100185, Article 100185

2024

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A First Principles Study on Zinc–Porphyrin Interaction with O 2 in Zinc–Porphyrin(Oxygen) Complex

Journal of the Physical Society of Japan, 2012-12, Vol.81 (12), p.124301

2012

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A Density-Functional Study on the Change of Q/B-Band Intensity Ratio of Zinc Tetraphenylporphyrin in Solvents

Journal of the Physical Society of Japan, 2014-08, Vol.83 (8), p.84802

2014

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Effect of polyethylene glycol 6000 on the microstructure and magnetic properties of BaFe10.4Al1.6O19

Materials research express, 2021-03, Vol.8 (3), p.036102

2021

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Oxygen Reduction Reaction Mechanism on the Square Paddle-Wheel Cage Site of TM-BTC (TM=Mn, Fe, Cu) Metal-Organic Framework

Journal of mathematical and fundamental sciences, 2022-12, Vol.54 (2), p.233-248

2022

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In Situ XAFS and HAXPES Analysis and Theoretical Study of Cobalt Polypyrrole Incorporated on Carbon (CoPPyC) Oxygen Reduction Reaction Catalysts for Anion-Exchange Membrane Fuel Cells

Journal of physical chemistry. C, 2014-11, Vol.118 (44), p.25480-25486

2014

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First principles calculation on the adsorption of water on lithium-montmorillonite (Li-MMT)

Journal of physics. Condensed matter, 2012-11, Vol.24 (47), p.475506-475506

2012

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Enhanced NO Gas Performance of (002)-Oriented Zinc Oxide Nanostructure Thin Films

IEEE access, 2019, Vol.7, p.155446-155454

2019

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Preparation of Polycrystalline Silicon from Rice Husk by Thermal Decomposition and Aluminothermic Reduction

Molekul (Purwokerto), 2020-03, Vol.15 (1), p.26-33

2020

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Density Functional Study on Benzene, Toluene, Ethylbenzene and Xylene Adsorptions on ZnO(100) Surface

Molekul (Purwokerto), 2019-06, Vol.14 (1), p.37

2019

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CTAB-assisted Hydrothermal Method for Tin Oxide Preparation as an Active Materials for Ethylene Gas Detection

Journal of physics. Conference series, 2024-02, Vol.2705 (1), p.12001

2024

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Data-driven investigation to model the corrosion inhibition efficiency of Pyrimidine-Pyrazole hybrid corrosion inhibitors

Computational and theoretical chemistry, 2023-11, Vol.1229, p.114307, Article 114307

2023

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Development of Novel Materials through Computational Materials Design (CMD ® )

ECS transactions, 2013-10, Vol.53 (37), p.1-6

2013

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Novel Mechanistic Insights into Methane Activation over Fe and Cu Active Sites in Zeolites: A Comparative DFT Study Using Meta-GGA Functionals

Journal of physical chemistry. C, 2020-08, Vol.124 (33), p.18112-18125

2020

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DFT and microkinetic investigation of oxygen reduction reaction on corrosion inhibition mechanism of iron surface by Syzygium Aromaticum extract

Applied surface science, 2023-04, Vol.615, p.156319, Article 156319

2023

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Dissociative Oxygen Reduction Reaction Mechanism on the Neighboring Active Sites of a Boron-Doped Pyrolyzed Fe–N–C Catalyst

Journal of physical chemistry. C, 2020-05, Vol.124 (21), p.11383-11391

2020

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Multilayer flexible metamaterials based on circular shape with negative refractive index at microwave spectrum

Sensors and actuators. A. Physical., 2021-12, Vol.332, p.113208, Article 113208

2021

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PWDFT.jl: A Julia package for electronic structure calculation using density functional theory and plane wave basis

Computer physics communications, 2020-11, Vol.256, p.107372, Article 107372

2020

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Study on building machine learning model to predict biodegradable-ready materials

AIP Conference Proceedings, 2019, Vol.2088 (1)

2019

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Selectivity of CO and NO adsorption on ZnO (0002) surfaces: A DFT investigation

Applied surface science, 2017-07, Vol.410, p.373-382

2017

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Tailoring the refractive index of single layer touching circular metamaterial by adjusting the dielectric thickness

DFT and microkinetic investigation of methanol synthesis via CO2 hydrogenation on Ni(111)-based surfaces

Microkinetic Modeling of CO2 Hydrogenation to Formic Acid on Transition Metal Doped Ni(111) Surface

A Theoretical Study of Ligand Effects on the Electronic Structures of Ligated Zinc Porphyrin using Density Functional Theory

Hollow Zinc Oxide Microsphere–Multiwalled Carbon Nanotube Composites for Selective Detection of Sulfur Dioxide

Selectivity of CO2 reduction reaction to CO on the graphitic edge active sites of Fe-single-atom and dual-atom catalysts: A combined DFT and microkinetic modeling

A First Principles Study on Zinc–Porphyrin Interaction with O 2 in Zinc–Porphyrin(Oxygen) Complex

A Density-Functional Study on the Change of Q/B-Band Intensity Ratio of Zinc Tetraphenylporphyrin in Solvents

Effect of polyethylene glycol 6000 on the microstructure and magnetic properties of BaFe10.4Al1.6O19

Oxygen Reduction Reaction Mechanism on the Square Paddle-Wheel Cage Site of TM-BTC (TM=Mn, Fe, Cu) Metal-Organic Framework

In Situ XAFS and HAXPES Analysis and Theoretical Study of Cobalt Polypyrrole Incorporated on Carbon (CoPPyC) Oxygen Reduction Reaction Catalysts for Anion-Exchange Membrane Fuel Cells

First principles calculation on the adsorption of water on lithium-montmorillonite (Li-MMT)

Enhanced NO Gas Performance of (002)-Oriented Zinc Oxide Nanostructure Thin Films

Preparation of Polycrystalline Silicon from Rice Husk by Thermal Decomposition and Aluminothermic Reduction

Density Functional Study on Benzene, Toluene, Ethylbenzene and Xylene Adsorptions on ZnO(100) Surface

CTAB-assisted Hydrothermal Method for Tin Oxide Preparation as an Active Materials for Ethylene Gas Detection

Data-driven investigation to model the corrosion inhibition efficiency of Pyrimidine-Pyrazole hybrid corrosion inhibitors

Development of Novel Materials through Computational Materials Design (CMD ® )

Novel Mechanistic Insights into Methane Activation over Fe and Cu Active Sites in Zeolites: A Comparative DFT Study Using Meta-GGA Functionals

DFT and microkinetic investigation of oxygen reduction reaction on corrosion inhibition mechanism of iron surface by Syzygium Aromaticum extract

Dissociative Oxygen Reduction Reaction Mechanism on the Neighboring Active Sites of a Boron-Doped Pyrolyzed Fe–N–C Catalyst

Multilayer flexible metamaterials based on circular shape with negative refractive index at microwave spectrum

PWDFT.jl: A Julia package for electronic structure calculation using density functional theory and plane wave basis

Study on building machine learning model to predict biodegradable-ready materials

Selectivity of CO and NO adsorption on ZnO (0002) surfaces: A DFT investigation

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