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Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Nucleobases

Energies (Basel), 2021-08, Vol.14 (16), p.5021

2021

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Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides

Molecules (Basel, Switzerland), 2020-11, Vol.25 (22), p.5415

2020

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Wireless, miniaturized, semi-implantable electrocorticography microsystem validated in vivo

Scientific reports, 2020-12, Vol.10 (1), p.21261-21261, Article 21261

2020

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Different forms of silicon nanotubes and their interactions with DNA nucleotides: A molecular dynamics study

Physica. B, Condensed matter, 2023-01, Vol.649, p.414491, Article 414491

2023

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The First Reaction Steps of Lithium-Mediated Ammonia Synthesis: Ab Initio Simulation

Nitrogen (Basel, Switzerland), 2022-09, Vol.3 (3), p.404-413

2022

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Ammonia CI engine aftertreatment systems design and flow simulation

Combustion Engines (Online), 2022

2022

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The numerical study of the energy and exergy efficiencies of the micro-combustor by the internal micro-fin for thermophotovoltaic systems

Journal of cleaner production, 2019-10, Vol.235, p.394-403

2019

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Charge transition levels of oxygen, lanthanum, and fluorine related defect structures in bulk hafnium dioxide (HfO2): An ab initio investigation

Journal of applied physics, 2015-06, Vol.117 (24)

2015

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Gas sensing properties of CNT-BNNT-CNT nanostructures: A first principles study

Applied surface science, 2019-03, Vol.470, p.933-942

2019

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The role of oxygen vacancies on SnO2 surface in reducing cross-sensitivity between ambient humidity and CO: A first principles investigation

Surface science, 2021-06, Vol.708, p.121817, Article 121817

2021

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A comprehensive study of effective parameters on the thermal performance of porous media micro combustor in thermo photovoltaic systems

Applied thermal engineering, 2023-08, Vol.231, p.120846, Article 120846

2023

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Exploring the dynamics of DNA nucleotides in graphene/h-BN nanopores: insights from ab initio molecular dynamics

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (19), p.13452-13464

2023

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Exploring the dynamics of DNA nucleotides in graphene/h-BN nanopores: insights from molecular dynamics

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (19), p.13452-13464

2023

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In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (44), p.25126-25135

2021

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Enhance the energy and exergy performance of hydrogen combustion by improving the micro-combustor outlet in thermofluidic systems

International journal of hydrogen energy, 2021-02, Vol.46 (9), p.6915-6927

2021

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Effects of ammonia on combustion, emissions, and performance of the ammonia/diesel dual-fuel compression ignition engine

Journal of the Energy Institute, 2023-04, Vol.107, p.101158, Article 101158

2023

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Electronic properties of graphene-ZnO interface: a density functional theory investigation

Nanotechnology, 2020-01, Vol.31 (2), p.25710-025710

2020

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Biosensing Properties of Zinc Oxide Nanoribbons Toward Creatine: A First-Principles Study

IEEE sensors journal, 2022-04, Vol.22 (8), p.7433-7441

2022

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Electronic properties of Ag-doped ZnO: DFT hybrid functional study

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (21), p.14688-14693

2018

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Gas sensing properties of a two-dimensional graphene/h-BN multi-heterostructure toward H2O, NH3 and NO2: A first principles study

Applied surface science, 2021-11, Vol.565, p.150454, Article 150454

2021

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The influence of lanthanum doping on the band alignment in Si/SiO2/HfO2 gate stack of nano‐MOSFETs: A first principles investigation

physica status solidi (b), 2017-10, Vol.254 (10), p.n/a

2017

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Ab Initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions Through Nanopores in Graphene and Hexagonal Boron Nitride Membranes

Chemphyschem, 2024-09, Vol.25 (17), p.e202400318-n/a

2024

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Experimental and numerical study on direct injection of liquid ammonia and its injection timing in an ammonia-biodiesel dual injection engine

Energy (Oxford), 2023-12, Vol.284, p.129301, Article 129301

2023

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An intelligent thermodynamic/economic approach based on artificial neural network combined with MOGWO algorithm to study a novel polygeneration scheme using a modified dual-flash geothermal cycle

Process safety and environmental protection, 2023-05, Vol.173, p.859-880

2023

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Multi-variable study/optimization of a novel geothermal-driven poly-generation system: Application of a soft-computing intelligent procedure and MOGWO

Process safety and environmental protection, 2023-03, Vol.171, p.507-531

2023

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Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Nucleobases

Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides

Wireless, miniaturized, semi-implantable electrocorticography microsystem validated in vivo

Different forms of silicon nanotubes and their interactions with DNA nucleotides: A molecular dynamics study

The First Reaction Steps of Lithium-Mediated Ammonia Synthesis: Ab Initio Simulation

Ammonia CI engine aftertreatment systems design and flow simulation

The numerical study of the energy and exergy efficiencies of the micro-combustor by the internal micro-fin for thermophotovoltaic systems

Charge transition levels of oxygen, lanthanum, and fluorine related defect structures in bulk hafnium dioxide (HfO2): An ab initio investigation

Gas sensing properties of CNT-BNNT-CNT nanostructures: A first principles study

The role of oxygen vacancies on SnO2 surface in reducing cross-sensitivity between ambient humidity and CO: A first principles investigation

A comprehensive study of effective parameters on the thermal performance of porous media micro combustor in thermo photovoltaic systems

Exploring the dynamics of DNA nucleotides in graphene/h-BN nanopores: insights from ab initio molecular dynamics

Exploring the dynamics of DNA nucleotides in graphene/h-BN nanopores: insights from molecular dynamics

In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides

Enhance the energy and exergy performance of hydrogen combustion by improving the micro-combustor outlet in thermofluidic systems

Effects of ammonia on combustion, emissions, and performance of the ammonia/diesel dual-fuel compression ignition engine

Electronic properties of graphene-ZnO interface: a density functional theory investigation

Biosensing Properties of Zinc Oxide Nanoribbons Toward Creatine: A First-Principles Study

Electronic properties of Ag-doped ZnO: DFT hybrid functional study

Gas sensing properties of a two-dimensional graphene/h-BN multi-heterostructure toward H2O, NH3 and NO2: A first principles study

The influence of lanthanum doping on the band alignment in Si/SiO2/HfO2 gate stack of nano‐MOSFETs: A first principles investigation

Ab Initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions Through Nanopores in Graphene and Hexagonal Boron Nitride Membranes

Experimental and numerical study on direct injection of liquid ammonia and its injection timing in an ammonia-biodiesel dual injection engine

An intelligent thermodynamic/economic approach based on artificial neural network combined with MOGWO algorithm to study a novel polygeneration scheme using a modified dual-flash geothermal cycle

Multi-variable study/optimization of a novel geothermal-driven poly-generation system: Application of a soft-computing intelligent procedure and MOGWO

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