مقالات سال 2020

Thermodynamics, Structure, and Dynamic Properties of Nanostructured Water Confined into B‑, N‑, and Si-Doped Graphene Surfaces and Carbon Nanotubes

Industrial and Engineering Chemistry Research

مقالات سال 2019

Molecular Dynamics Simulation of Anticancer Drug Delivery from Carbon Nanotube Using Metal Nanowires

JOURNAL OF COMPUTATIONAL CHEMISTRY

نفوذ نانوواير نقره به درون نانولولهي کربني: يک روش مؤثر براي رهايش داروي ضد سرطان

شیمی و مهندسی شیمی ایران

مقالات سال 2018

Molecular Dynamics Simulation of Liquid Water and Ice Nanoclusters Using a New Effective HFD-Like Model

JOURNAL OF COMPUTATIONAL CHEMISTRY

Ag–Au nanoparticles encapsulated inside porous hollow carbon nanospheres: a molecular dynamics study

NEW JOURNAL OF CHEMISTRY

Au–Ir nanoalloy nucleation during the gas-phase condensation: a comprehensive MD study including different effects

Inorganic Chemistry Frontiers

Rattle, Porous, and Dense Cores and Discontinuous Porous, Continuous Porous, and Dense Shells in Pt@Au Core-Shell Nanoparticles

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Investigation of Possible Formation of Au@M (M = Cu, Ir, Pt, and Rh) Core−Shell Nanoclusters in a Condensation−Coalescence Process Using Molecular Dynamics Simulations

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Icosahedral Ir, Rh, Pt, and Cu nanoclusters into gold vapor environment: Thermodynamic and structural analysis of the formed core@shell nanoclusters using MD simulations

JOURNAL OF ALLOYS AND COMPOUNDS

Unexpected Trend for Thermodynamic Stability of Au@void@AgAu Yolk-Shell Nanoparticles: a Molecular Dynamics Study

APPLIED SURFACE SCIENCE

Thermodynamic, structural, and dynamical properties of nano-confined water using SPC/E and TIP4P models by molecular dynamics simulations

NEW JOURNAL OF CHEMISTRY

Au–Fe nanoparticles visited by MD simulation: structural and thermodynamic properties affected by chemical composition

NEW JOURNAL OF CHEMISTRY

Adsorption mechanism of different acyclovir concentrations on 1–2 nm sized magnetite nanoparticles: A molecular dynamics study

JOURNAL OF MOLECULAR LIQUIDS

Investigation of different effects on the capacity of supercapacitor comprising an ionic liquid between graphene oxide nanosheets

JOURNAL OF MOLECULAR LIQUIDS

Pt–Co Nanocluster in Hollow Carbon Nanospheres

JOURNAL OF COMPUTATIONAL CHEMISTRY

AgPd@Pt nanoparticles with different morphologies of cuboctahedron, icosahedron, decahedron, octahedron, and Marks-decahedron: Insights from Atomistic Simulations

Inorganic Chemistry Frontiers

Stability Control of AgPd@Pt Trimetallic Nanoparticles via Ag−Pd Core Structure and Composition: A Molecular Dynamics Study

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Formation of methane clathrates in carbon nanotubes: a molecular dynamics study

NEW JOURNAL OF CHEMISTRY

مقالات سال 2017

Some properties of solid helium and helium nanoclusters using the effective HFD-like interaction potential: Adsorption and desorption inside carbon nanotube

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

New Molecular Insight into the Stability of Ni-Pd Hollow Nanoparticles

Inorganic Chemistry Frontiers

Delivery of Cisplatin Anti-Cancer Drug from Carbon, Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire: A Comprehensive Molecular Dynamics Study

Molecular Pharmaceutics

Kinetics formation of bimetallic nanoalloys at different simulation times

JOURNAL OF MOLECULAR LIQUIDS

Different morphologies of aluminum nanoclusters: Effect of pressure on solid-liquid phase transition of the nanoclusters using molecular dynamics simulations

JOURNAL OF MOLECULAR LIQUIDS

Effect of systematic addition of the third component on the melting characteristics and structural evolution of binary alloy nanoclusters

JOURNAL OF MOLECULAR LIQUIDS

Coalescence Process of Gold/Silver Core-Shell Nanoparticles Located on Carbon Nanotube and Graphene Surfaces

JOURNAL OF MOLECULAR LIQUIDS

Dumbbell-Like, Core-Shell and Janus-Like Configurations in Pd@Au@Pd Three-Shell Nanoalloys: a Molecular Dynamics Study

Inorganic Chemistry Frontiers

Au@void@Ag Yolk-Shell Nanoclusters Visited by Molecular Dynamics Simulation: The Effects of Structural Factors on Thermodynamic Stability

Journal of Physical Chemistry Letters

Effect of Pressure on Some Properties of Ag@Pd and Pd@Ag Nanoclusters

JOURNAL OF ALLOYS AND COMPOUNDS

Pt-Pd Nanoalloys with Crown-Jewel Structures: How Size of the Mother Pt Cluster Affects on Thermal and Structural Properties of Pt-Pd Nanoalloys?

JOURNAL OF MOLECULAR LIQUIDS

Injection of mixture of shale gases in a Nanoscale pore of graphite and their displacement by CO2/N2 gases using molecular dynamics study

JOURNAL OF MOLECULAR LIQUIDS

Au@void@AgAu Yolk-Shell Nanoparticles with Dominant Strain Effects: a Molecular Dynamics Simulation

Journal of Physical Chemistry Letters

Investigation of solvation of iron nanoclusters in ionic liquid 1-butyl- 1,1,1-trimethylammonium methane sulfonate using molecular dynamics simulations: Effect of cluster size at different temperatures

JOURNAL OF COLLOID AND INTERFACE SCIENCE

Dynamical investigation of formation of Ni-Pt Nanoclusters in Gas Phase

JOURNAL OF MOLECULAR LIQUIDS

Ni-Co Bimetallic Nanoparticles with Core-Shell, Alloyed, and Janus Structures Explored by MD Simulation

JOURNAL OF MOLECULAR LIQUIDS

Fe3O4@SiO2-NH2 as an efficient nanomagnetic carrier for controlled loading and release of acyclovir

International Journal Of Nano Dimension

Au@Pt and Pt@Au nanoalloys in the Icosahedral and Cuboctahedral Structures: Which is more Stable?

JOURNAL OF MOLECULAR LIQUIDS

Competition between Stability of Icosahedral and Cuboctahedral morphologies in Bimetallic Nanoalloys

Physical Chemistry Chemical Physics

Ag-Au Bimetallic Nanoclusters Formed from Homogeneous Gas Phase: a New Thermodynamic Expression Confirmed by Molecular Dynamics Simulation

Physical Chemistry Chemical Physics

Density-dependent phase transition in nano-confinement water using molecular dynamics simulation

JOURNAL OF MOLECULAR LIQUIDS

Structural Evolution of Pt/Pd Nanoparticles in Condensation Process

JOURNAL OF MOLECULAR LIQUIDS

Effect of Support on the Coalescence between Ag@Au Nanoalloys using MD Simulations

JOURNAL OF MOLECULAR LIQUIDS

Thermal Stabilities of Iron Nanoparticles under Hydrostatic Pressure

JOURNAL OF MOLECULAR LIQUIDS

A Comprehensive Molecular Dynamics investigation on Confinement of PtnCum Nanoclustersinside Carbon Nanotubes

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

مقالات سال 2016

Molecular dynamics simulation of noble gas adsorption on graphite: New effective potentials including many-body interactions

JOURNAL OF MOLECULAR LIQUIDS

Propene Adsorption on Gold-Palladium Nanoalloys Supported on Bundle Nanotubes

RSC Advances

Investigation of size dependence of the properties of Cu nanoclusters using molecular dynamics simulations

JOURNAL OF MOLECULAR LIQUIDS

A comprehensive study of methane/carbon dioxide adsorptive selectivity in different bundle nanotubes

RSC Advances

Nanotube diameter dependency of anisotropic pressure of an ionic liquid confined in a carbon nanotube: A molecular dynamics study for [emim][PF6] case

JOURNAL OF MOLECULAR LIQUIDS

A Modified Thermodynamic Insight to Deliquescence of a Void-Containing Nanocrystal Confirmed by MD Simulation

AICHE JOURNAL

Adsorption of He-Ar Binary Mixture on the Silver Nanoclusters: a Molecular Dynamics Investigation on the Effects of Mole Fraction of the Mixture, Shape and Size of the Nanocluster

JOURNAL OF MOLECULAR LIQUIDS

A Molecular Dynamics Study of the Effect of Substrate on the Thermodynamic Properties of Bounded Pt-Cu Bimetallic Nanoclusters

Physical Chemistry Chemical Physics

Investigation of thermal, structural and dynamical properties of (Aux-Cuy-Niy)N=32,108,256ternary nanosystems: Effect of Au addition to Cu-Ni bimetallic nanoclusters via MD simulation

RSC Advances

Investigation of Melting and Freezing of Ag-Au Alloy Nanoclusters Supported on Carbon Nanotube using Molecular Dynamics Simulations

JOURNAL OF MOLECULAR LIQUIDS

Effects of pressure, nanoalloy size, and nanoalloy mole fraction on melting of Ir-Rh nanoalloys using molecular dynamics simulations

JOURNAL OF ALLOYS AND COMPOUNDS

Equation of state and some structural and dynamical properties of the confined Lennard-Jones fluid into carbon nanotube: A molecular dynamics study

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Properties of silver nanoclusters and bulk silver, using a new and accurate HFD-like potential, including many-body interactions: the inversion scheme and molecular dynamics simulation

RSC Advances

Phase Transition in Crown-Jewel Structured Au-Ir Nanoalloys with Different Shapes: A Molecular Dynamics Study

Physical Chemistry Chemical Physics

Carbon monoxide adsorption on the single-walled carbon nanotube supported gold–silver nanoalloys

NEW JOURNAL OF CHEMISTRY

Mo Nanocluster under High Pressure: A Molecular Dynamics Study

JOURNAL OF MOLECULAR LIQUIDS

AunPdm Nanoclusters supported on Bundles of Nanotubes and Graphite surface: a Comprehensive Molecular Dynamics Study

JOURNAL OF ALLOYS AND COMPOUNDS

Nano-confined ionic liquid [emim][PF6] between graphite sheets: A molecular dynamics study

JOURNAL OF MOLECULAR LIQUIDS

Effect of Pt addition to AgeAu bimetallic nanoclusters: A molecular dynamics study of AgeAuePt ternary system

JOURNAL OF ALLOYS AND COMPOUNDS

مقالات سال 2015

Investigation of Thermodynamic, Dynamic and Structural properties of H2 Adsorption on Ag-Au Nanoalloy Supported on Carbon Nanotube

CHEMPHYSCHEM

H2 Adsorption on Ag-Nanocluster/Single-Walled Carbon Nanotube Composites: A Molecular Dynamics Study on the Effects of Nanocluster Size, Diameter, and Chirality of Nanotube

Journal of Computational Chemistry

Effects of diameter and chirality on structural and dynamical behavior of [EMIM][PF6] encapsulated in carbon nanotube: A molecular dynamics study

JOURNAL OF MOLECULAR LIQUIDS

Investigation of thermal evolution of copper nanoclusters encapsulated in carbon nanotube: A molecular dynamics study

Physical Chemistry Chemical Physics

Disorder effect on heat capacity, self-diffusion coefficient, and choosing best potential model for melting temperature, in gold–copper bimetallic nanocluster with 55 atoms

JOURNAL OF NANOPARTICLE RESEARCH

A new and accurate expression for the radial distribution function of confined Lennard-Jones fluid in carbon nanotubes

RSC Advances

Melting Behavior of (PdxPt1-x)n Nanoclusters Confined in Single-Walled Carbon Nanotubes: a Molecular Dynamics Investigation on the Effects of Chirality and Diameter of Nanotube, Cluster Size and its Composition

RSC Advances

Investigation of the melting of ionic liquid [emim] [PF6] confined inside carbon nanotubes using molecular dynamics simulations

RSC Advances

Molecular dynamics investigation on the deliquescence of NH4Cl and NH4NO3 nanoparticles under atmospheric conditions

RSC Advances

Size dependence of the equation of state for Ne nanoclusters from an effective two-body potential via molecular dynamics simulations

RSC Advances

مقالات سال 2014

Investigation of thermal behavior of graphite-supported Agnanoclusters of different sizes using molecular dynamics simulations

FLUID PHASE EQUILIBRIA

A molecular dynamics investigation of hydrogen adsorption on Ag–Cu bimetallic nanoclusters supported on a bundle of single-walled carbon nanotubes

RSC Advances

Accurate melting temperatures for Ne nanoclusters and bulk from an effective two-body potential via molecular dynamics simulations

FLUID PHASE EQUILIBRIA

Chemical ordering effect on melting temperature, surface energy of copper–gold bimetallic nanocluster

JOURNAL OF ALLOYS AND COMPOUNDS

Molecular dynamics simulations of Silver nanocluster supported on carbon nanotube

JOURNAL OF COLLOID AND INTERFACE SCIENCE

CO Adsorption on Ag Nanoclusters Supported on Carbon Nanotube: A Molecular Dynamics Study

Journal of Physical Chemistry C

Adsorption of He gas on the Agnnanoclusters: A molecular dynamicstudy

FLUID PHASE EQUILIBRIA

مقالات سال 2013

Intracellular viral infection kinetics using a stochastic approach

Progress in Reaction Kinetics and Mechanism

Study of two dimensional anisotropic Ising models via a renormalization group approach

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Permutation entropy and detrend fluctuation analysis for the natural complexity of cardiac heart interbeat signals

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Effects of Gas Adsorption on the Graphite-Supported Ag Nanoclusters: A Molecular Dynamics Study

Journal of Physical Chemistry C

مقالات سال 1394

Temperature and Doping Effect on Thermal Conductivity of Copper− Gold Icosahedral Bimetallic Nanoclusters and Bulk Structures

Journal of Physical Chemistry C

مقالات سال 2015

The study of the effect of the type of the supported on Au–Pd nanoalloys structural, thermodynamic and dynamical properties via Molecular Dynamics Simulation

18th Iranian Chemistry Congress ، 2015-09-01

Molecular dynamics simulation of the anticancer drug cisplatin release from boron nitrid nanotubes using silver nanowires

18th Iranian Chemistry Congress ، 2015-09-01

Investigation of structural, thermodynamic and dynamical properties of supported Au–Pd nanoalloys on bundle carbon nanotube

18th Iranian Chemistry Congress ، 2015-09-01

The effects of nanotube chirality on the drug release from carbon nanotubes: A molecular dynamics study

18th Iranian Chemistry Congress ، 2015-08-30

مقالات سال 2014

A New Method for the Investigation of Deliquescence of NaCl Nanoparticles

Iranian Physical Chemistry Conference ، 2014-10-23

Melting and Freezing of Cu Nanoclusters Confined in Single-Walled Carbon Nanotubes

Iranian Physical Chemistry Conference ، 2014-10-23

Molecular Dynamics Simulations of Ag-Au Nanocluster Condensation

Iranian Physical Chemistry Conference ، 2014-10-23

H2 Adsorption on Silver-Nanoparticle/Carbon-Nanotube Nanocomposites

Iranian Physical Chemistry Conference ، 2014-10-23

Calculation of Bulk Modulus at Zero Pressure Limit for Different Sizes of Cu Nanoclusters: A Molecular Dynamics Study

Iranian Physical Chemistry Conference ، 2014-10-23

Molecular Dynamics Simulation of Ag-Au Nanoalloys Supported on Carbon Nanotube

Iranian Physical Chemistry Conference ، 2014-10-23

Size Dependence of Deliquescence Relative Humidity of KCl Nanoparticles via Molecular Dynamics Simulations

Iranian Physical Chemistry Conference ، 2014-10-23

Gas Adsorption on Bimetallic Nanoclusters (Ag-Au) Supported on a Carbon Nanotube Surface

Iranian Physical Chemistry Conference ، 2014-10-23

مقالات سال 2013

Gas Adsorption On Silver Nanoclusters Supported On A Carbon Nanotube Surface

th Iraninan Physical Chemistry Conference 16 ، 2013-10-31

A Molecular Dynamics Study On Melting Of Carbon Nanotube- Supported Silver Nanoclusters

th Iraninan Physical Chemistry Conference 16 ، 2013-10-31

کتب سال 2020

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