List of works - Yang-Xin Yu

A density functional theory for Lennard-Jones fluids in cylindrical pores and its applications to adsorption of nitrogen on MCM-41 materials.

scientific article published on 8 October 2008

A density functional theory with a mean-field weight function: applications to surface tension, adsorption, and phase transition of a Lennard-Jones fluid in a slit-like pore.

scientific article published in December 2008

A fundamental-measure theory for inhomogeneous associating fluids

A modified fundamental measure theory for spherical particles in microchannels

A molecular-thermodynamic model for the interactions between globular proteins in aqueous solutions: applications to bovine serum albumin (BSA), lysozyme, alpha-chymotrypsin, and immuno-gamma-globulins (IgG) solutions.

scientific article published on 30 August 2006

A novel weighted density functional theory for adsorption, fluid-solid interfacial tension, and disjoining properties of simple liquid films on planar solid surfaces

scientific article published on 01 July 2009

Binding energy and work function of organic electrode materials phenanthraquinone, pyromellitic dianhydride and their derivatives adsorbed on graphene

scientific article published on 12 September 2014

Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?

scientific article published on 4 September 2013

DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface.

scientific article

Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model.

scientific article published in May 2008

Density functional study on the structures and thermodynamic properties of small ions around polyanionic DNA.

scientific article published on 28 July 2004

Density functional theory for inhomogeneous mixtures of polymeric fluids

Density-functional theory and Monte Carlo simulation study on the electric double layer around DNA in mixed-size counterion systems.

scientific article published in December 2005

Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions

scientific article published in April 2004

Efficient and Reversible Electron Doping of Semiconductor-Enriched Single-Walled Carbon Nanotubes by Using Decamethylcobaltocene

scientific article

Excellent Infrared Nonlinear Optical Crystals BaMO(IO₃)₅ (M = V, Ta) Predicted by First Principle Calculations

scientific article published on 24 September 2018

Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids

Highly Dispersive Palladium Loading on ZnO by Galvanic Replacements with Improved Methane Sensing Performance

scientific article published in 2022

Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.

scientific article published in October 2009

Prediction of collective diffusion coefficient of bovine serum albumin in aqueous electrolyte solution with hard-core two-Yukawa potential.

scientific article published on 20 May 2005

Preferential interaction between DNA and small ions in mixed-size counterion systems: Monte Carlo simulation and density functional study.

scientific article

Stabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments

scientific article published on 01 April 2020

Structure and adsorption of a hard-core multi-Yukawa fluid confined in a slitlike pore: grand canonical Monte Carlo simulation and density functional study.

scientific article published in January 2006

Structure of inhomogeneous attractive and repulsive hard-core yukawa fluid: grand canonical Monte Carlo simulation and density functional theory study.

scientific article published in March 2005

Structures and adsorption of binary hard-core Yukawa mixtures in a slitlike pore: grand canonical Monte Carlo simulation and density-functional study.

scientific article published in September 2005

Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory

scientific article published in July 2004

Structures of hard-sphere fluids from a modified fundamental-measure theory

Thermodynamic and structural properties of mixed colloids represented by a hard-core two-Yukawa mixture model fluid: Monte Carlo simulations and an analytical theory.

scientific article published in January 2008

List of works by Yang-Xin Yu

A density functional theory for Lennard-Jones fluids in cylindrical pores and its applications to adsorption of nitrogen on MCM-41 materials.

A density functional theory with a mean-field weight function: applications to surface tension, adsorption, and phase transition of a Lennard-Jones fluid in a slit-like pore.

A fundamental-measure theory for inhomogeneous associating fluids

A modified fundamental measure theory for spherical particles in microchannels

A molecular-thermodynamic model for the interactions between globular proteins in aqueous solutions: applications to bovine serum albumin (BSA), lysozyme, alpha-chymotrypsin, and immuno-gamma-globulins (IgG) solutions.

A novel weighted density functional theory for adsorption, fluid-solid interfacial tension, and disjoining properties of simple liquid films on planar solid surfaces

Binding energy and work function of organic electrode materials phenanthraquinone, pyromellitic dianhydride and their derivatives adsorbed on graphene

Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?

DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface.

Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model.

Density functional study on the structures and thermodynamic properties of small ions around polyanionic DNA.

Density functional theory for inhomogeneous mixtures of polymeric fluids

Density-functional theory and Monte Carlo simulation study on the electric double layer around DNA in mixed-size counterion systems.

Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions

Efficient and Reversible Electron Doping of Semiconductor-Enriched Single-Walled Carbon Nanotubes by Using Decamethylcobaltocene

Excellent Infrared Nonlinear Optical Crystals BaMO(IO₃)₅ (M = V, Ta) Predicted by First Principle Calculations

Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids

Highly Dispersive Palladium Loading on ZnO by Galvanic Replacements with Improved Methane Sensing Performance

Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.

Prediction of collective diffusion coefficient of bovine serum albumin in aqueous electrolyte solution with hard-core two-Yukawa potential.

Preferential interaction between DNA and small ions in mixed-size counterion systems: Monte Carlo simulation and density functional study.

Stabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments

Structure and adsorption of a hard-core multi-Yukawa fluid confined in a slitlike pore: grand canonical Monte Carlo simulation and density functional study.

Structure of inhomogeneous attractive and repulsive hard-core yukawa fluid: grand canonical Monte Carlo simulation and density functional theory study.

Structures and adsorption of binary hard-core Yukawa mixtures in a slitlike pore: grand canonical Monte Carlo simulation and density-functional study.

Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory

Structures of hard-sphere fluids from a modified fundamental-measure theory

Thermodynamic and structural properties of mixed colloids represented by a hard-core two-Yukawa mixture model fluid: Monte Carlo simulations and an analytical theory.