Xiaoning Yang

发表

Molecular simulation of preferential adsorption of CO2 over CH4 in Na-montmorillonite clay material

Nannan Yang, Nannan Yang, Shuyan Liu, 2015 .

Molecular simulation of permeation behaviour of ethanol/water molecules with single-layer graphene oxide membranes

Xiaoning Yang, Tong Yu, Li-yuan Bai, 2018 .

Molecular Dynamics Simulation of C60 Encapsulation into Single-Walled Carbon Nanotube in Solvent Conditions

Xiaoning Yang, Lunjiang Tang, 2012 .

Coarse-grained molecular simulation of self-assembly for nonionic surfactants on graphene nanostructures.

Xiaoning Yang, Dan Wu, 2012, The journal of physical chemistry. B.

Molecular simulations of structures and solvation free energies of passivated gold nanoparticles in supercritical CO(2).

Nannan Yang, Xiaoning Yang, Zhijun Xu, 2010, The Journal of chemical physics.

Molecular Dynamics Simulation of Interaction between Supercritical CO2 Fluid and Modified Silica Surfaces

Xiaoning Yang, Yongfa Zhu, J. Ping, 2008 .

Molecular dynamics simulation of wetting on modified amorphous silica surface

Shuyan Liu, Xiaoning Yang, Jingchun Chai, 2009 .

Molecular simulation study of adsorption and diffusion on silicalite for a benzene/CO2 mixture.

Xiaoning Yang, Xiaopeng Yue, 2006, Langmuir : the ACS journal of surfaces and colloids.

DFT study of gas adsorbing and electronic properties of unsaturated nanoporous graphene

Xiaoning Yang, Lijuan Huang, S. Miao, 2020, Molecular Simulation.

Tethering Dual Hydroxyls into Mesoporous Poly(ionic liquid)s for Chemical Fixation of CO2 at Ambient Conditions: A Combined Experimental and Theoretical Study

Yuming Shi, Jun Wang, Yu Zhou, 2017 .

Structural evolution of Pt-Au nanoalloys during heating process: comparison of random and core-shell orderings.

Shuyan Liu, Xiaoning Yang, Zhijun Xu, 2009, Physical chemistry chemical physics : PCCP.

Molecular Insight into Water Transport through Heterogeneous GO-based Two-Dimensional Nanocapillary.

Xiaoning Yang, Ming Zhang, Zhijun Xu, 2019, ACS applied materials & interfaces.

Multiscale molecular simulations on interfacial adsorption and permeation of nanoporous graphynes.

Jie Yang, Xiaoning Yang, Zhijun Xu, 2017, Physical chemistry chemical physics : PCCP.

Interface-Induced Affinity Sieving in Nanoporous Graphenes for Liquid-Phase Mixtures

Xiaoning Yang, Yanan Hou, Zhijun Xu, 2016 .

Molecular dynamics simulation of wetting behavior at CO2/water/solid interfaces

Shuyan Liu, Xiaoning Yang, Y. Qin, 2010 .

Nanohybrids with tunable band gap and low electron effective mass: Graphenes doped by multiple boron nitrogen domains

Weiqi Wang, Xiaoning Yang, Wenxin Wang, 2022, Applied Surface Science.

Cluster molecular modeling of strong interaction for F-doped V2O5–WO3/TiO2 supported catalyst

Q. Zhong, Xiaoning Yang, Shule Zhang, 2013 .

Modeling of adsorption on porous activated carbons using SLD-ESD model with a pore size distribution

C. Lira, Xiaoning Yang, 2012 .

Template-induced in situ dispersion of enhanced basic-sites on sponge-like mesoporous silica and its improved catalytic property

Xiaoning Yang, Bangbang Wang, Shijian Zhou, 2016 .

Adsorption prediction for three binary supercritical gas mixtures on activated carbon based on a NDFT/PSD approach

Xiaoning Yang, Bin Yan, 2005 .

Free Energy Reconstruction/Decomposition from WHAM, Force Integration and Free Energy Perturbation for an Umbrella Sampling Simulation

Xiaoning Yang, Zhijun Xu, Cong Zhang, 2022, Chemical Physics.

Molecular simulation of swelling and interlayer structure for organoclay in supercritical CO(2).

Xiaoning Yang, Y. Yu, 2011, Physical chemistry chemical physics : PCCP.

Gibbs ensemble Monte Carlo simulation of adsorption for model surfactant solution in confined slit pores.

Xiaoning Yang, Zhijun Xu, Lili Liu, 2008, The Journal of chemical physics.

β-Diketones at Water/Supercritical CO2 Interface: A Molecular Dynamics Simulation

Shuyan Liu, Xiaoning Yang, Jingchun Chai, 2009 .

Physical insight into the entropy‐driven ion association

Xiaoning Yang, Zhijun Xu, Xiao Yang, 2022, J. Comput. Chem..

Heteropolyanion-based ionic liquid-functionalized mesoporous copolymer catalyst for Friedel–Crafts benzylation of arenes with benzyl alcohol

Jun Wang, Xiaochen Wang, Yu Zhou, 2014 .

Molecular Simulation on Thermodynamic Swelling Behavior of Bilayer Graphene Oxide in Solvents

Xiaoning Yang, Zhijun Xu, W. Tong, 2021, The Journal of Physical Chemistry C.

Interfacial friction of ethanol–water mixtures in graphene pores

Shuyan Liu, Xiaoning Yang, Zhijun Xu, 2016, Microfluidics and Nanofluidics.

Adsorption and self-assembly of surfactant/supercritical CO2 systems in confined pores: a molecular dynamics simulation.

Xiaoning Yang, Zhijun Xu, Zhen Yang, 2007, Langmuir : the ACS journal of surfaces and colloids.

Molecular simulation perspective of liquid-phase exfoliation, dispersion, and stabilization for graphene

Junliang Yang, Xiaoning Yang, Yaping Li, 2015 .

Molecular dynamics simulation of adsorption of pyrene-polyethylene glycol onto graphene.

Xiaoning Yang, Liyang Xu, 2014, Journal of colloid and interface science.

Molecular dynamics simulation of ethanol/water mixtures for structure and diffusion properties

Xiaoning Yang, Cuijuan Zhang, 2005 .

Structure and diffusion behavior of dense carbon dioxide fluid in clay-like slit pores by molecular dynamics simulation

Xiaoning Yang, Cuijuan Zhang, 2005 .

Pyridinic nitrogen doped nanoporous graphene as desalination membrane: Molecular simulation study

Xiaoning Yang, Qi Chen, 2015 .

Molecular dynamics simulation of dense carbon dioxide fluid on amorphous silica surfaces.

Xiaoning Yang, Zhijun Xu, Cuijuan Zhang, 2006, Journal of colloid and interface science.

Molecular simulation of swelling and structure for Na-Wyoming montmorillonite in supercritical CO2

Nannan Yang, Xiaoning Yang, 2011 .

Physical origin underlying the prenucleation-cluster-mediated nonclassical nucleation pathways for calcium phosphate.

Yang Yang, Xiaoning Yang, Zhijun Xu, 2019, Physical chemistry chemical physics : PCCP.

Quantitatively Identifying the Roles of Interfacial Water and Solid Surface in Governing Peptide Adsorption.

X. Yang, Xiaoning Yang, Nita Sahai, 2018, Langmuir : the ACS journal of surfaces and colloids.

Amine-based solvents for exfoliating graphite to graphene outperform the dispersing capacity of N-methyl-pyrrolidone and surfactants.

F. Liu, W. Schuhmann, M. Muhler, 2014, Chemical communications.

Molecular Simulation of Electrolyte-Induced Interfacial Interaction between SDS/Graphene Assemblies

Xiaoning Yang, Bin Wu, 2013 .

A Self-Healable High Glass Transition Temperature Bioepoxy Material Based on Vitrimer Chemistry

Tuan Liu, Xiaoning Yang, Jinwen Zhang, 2018, Macromolecules.

29DFT-based Theoretical Simulation on Electronic Transition for Graphene Oxides in Solvent Media

Xiaoning Yang, Houyi Li, Zhaomin Meng, 2021, Journal of Molecular Liquids.

DFT study of non-covalent interaction mechanisms of solvents with GO surfaces and the solvent-mediated GO interaction

Xiaoning Yang, Zhijun Xu, S. Miao, 2020 .

Interaction between phosphomolybdic anion and imidazolium cation in polyoxometalates-based ionic liquids: a quantum mechanics study

Jun Wang, Xiaoning Yang, Jun Liu, 2014, Journal of Molecular Modeling.

Viscosity and Structure of Water and Ethanol within GO Nanochannels: A Molecular Simulation Study.

Xiaoning Yang, Zhijun Xu, M. Zhan, 2020, The journal of physical chemistry. B.

Adsorption equilibrium of benzaldehyde and benzyl alcohol onto polymeric resin from supercritical CO2

C. Lira, Xiaoning Yang, 2016, Adsorption.

Preferential solvation of metastable phases relevant to topological control within the synthesis of metal-organic frameworks.

A. Clark, Xiaoning Yang, 2014, Inorganic chemistry.

A molecular simulation of interactions between graphene nanosheets and supercritical CO2.

Xiaoning Yang, Bin Wu, 2011, Journal of colloid and interface science.

Molecular simulation of interfacial mechanics for solvent exfoliation of graphene from graphite

Xiaoning Yang, Cuili Fu, 2013 .

Facile microemulsion synthesis of porous CuO nanosphere film and its application in lithium ion batteries

Qiang Wang, Zeheng Yang, Weixin Zhang, 2013 .

Solvation structure and dynamics for passivated Au nanoparticle in supercritical CO2: a molecular dynamic simulation.

Xiaoning Yang, Zhijun Xu, Bin Wu, 2011, Journal of colloid and interface science.

Morphology and structure transition of surfactant/scCO2 system: A dissipative particle dynamics simulation

Xiaoning Yang, Yongfa Zhu, 2012 .

Molecular dynamics simulation of self-assembly structure for AOK based reverse micelle in supercritical CO2

Xiaoning Yang, Zhijun Xu, Bin Wu, 2010 .

Entropy-Enthalpy Compensation in Peptide Adsorption on Solid Surfaces: Dependence on Surface Hydration.

Xiaoning Yang, Zhijun Xu, Xiang Wang, 2020, Langmuir : the ACS journal of surfaces and colloids.

Coarse-grained molecular simulation of self-assembly nanostructures of CTAB on nanoscale graphene

Shuyan Liu, Xiaoning Yang, Dan Wu, 2016 .

Electrolyte-induced reorganization of SDS self-assembly on graphene: a molecular simulation study.

Shuyan Liu, Xiaoning Yang, Bin Wu, 2014, ACS applied materials & interfaces.

On the mechanism of surfactant adsorption on solid surfaces: free-energy investigations.

Zhijun Xu, Xiaoning Yang, Xiaoning Yang, 2008, The journal of physical chemistry. B.

Hypercrosslinked organic polymer based carbonaceous catalytic materials: Sulfonic acid functionality and nano-confinement effect

Jun Wang, Xiaochen Wang, Yu Zhou, 2015 .

Influence of functional groups on the degradation of graphene oxide nanomaterials

M. Hersam, Xiaoning Yang, I. Chowdhury, 2019, Environmental Science: Nano.

Enhanced hydrophilicity and water-permeating of functionalized graphene-oxide nanopores: Molecular dynamics simulations

Hang Liu, Shuyan Liu, Xiaoning Yang, 2017 .

Molecular simulation of reverse osmosis for heavy metal ions using functionalized nanoporous graphenes

Shuyan Liu, Xiaoning Yang, Jinwen Zhang, 2017 .

Chemical replacement route to Cu2−xSe-coated CuO nanotube array anode for enhanced performance in lithium ion batteries

Zeheng Yang, Weixin Zhang, Xiaoning Yang, 2014 .

Gibbs ensemble Monte Carlo simulation of supercritical CO2 adsorption on NaA and NaX zeolites.

Xiaoning Yang, Shanshan Liu, 2006, The Journal of chemical physics.

One-Pot Room Temperature Synthesis of Cu2O/Ag Composite Nanospheres with Enhanced Visible-Light-Driven Photocatalytic Performance

Zeheng Yang, Weixin Zhang, Xiaoning Yang, 2014 .

Theoretical insights into origin of graphene oxide acidity and relating behavior of oxygen-containing groups in water

Xiaoning Yang, Yushuang Lu, Yanan Guo, 2021 .

Adsorption and structure of Lennard–Jones model fluid in slit-like amorphous silica nanopores

Xiaoning Yang, Xiaopeng Yue, 2007 .

Multiscale Simulation of the Interaction and Adsorption of Ions on a Hydrophobic Graphene Surface.

Xiaoning Yang, Yanan Guo, Zhijun Xu, 2018, Chemphyschem : a European journal of chemical physics and physical chemistry.

Molecular dynamics simulation of water transport through graphene-based nanopores: Flow behavior and structure characteristics

Shuyan Liu, Xiaoning Yang, Xueping Yang, 2015 .

Molecular simulation of penetration separation for ethanol/water mixtures using two-dimensional nanoweb graphynes

Wei Zhang, Xiaoning Yang, Zhijun Xu, 2019, Chinese Journal of Chemical Engineering.

Microfluidic-Assisted Self-Assembly of 2D Nanosheets toward in situ Generation of Robust Nanofiber Film.

Xiaoning Yang, Jijun Xiao, Liangliang Zhou, 2023, Small.

Interfacial friction of ethanol–water mixtures in graphene pores

Shuyan Liu, Xiaoning Yang, Mengyao Zhao, 2016 .

Molecular simulation of gold nanoparticle dispersion and aggregation in supercritical CO2

Xiaoning Yang, Mengnan Cui, 2012, Journal of Materials Science.

Molecular Dynamics Simulation of the Melting Behavior of Pt−Au Nanoparticles with Core−Shell Structure

Xiaoning Yang, Zhijun Xu, Zhen Yang, 2008 .

A molecular simulation probing of structure and interaction for supramolecular sodium dodecyl sulfate/single-wall carbon nanotube assemblies.

Xiaoning Yang, Zhijun Xu, Zhen Yang, 2010, Nano letters.

Water Permeation and Ion Rejection in Layer-by-Layer Stacked Graphene Oxide Nanochannels: A Molecular Dynamics Simulation

Xiaoning Yang, Zhijun Xu, Haiwei Dai, 2016 .

Molecular simulation of graphene growth by chemical deposition on nickel using polycyclic aromatic hydrocarbons

Xiaoning Yang, Yujie Lu, 2015 .

Equilibrium and kinetics properties of p-dichlorobenzene and toluene on silica gel in dense CO2 by chromatography analysis

Xiaoning Yang, M. Matthews, 2003 .

Correction: Molecular dynamics simulation of the mechanical properties of multilayer graphene oxide nanosheets

Hang Liu, Shuyan Liu, Xiaoning Yang, 2018, RSC advances.

Modification of free-energy density functional theory approach for prediction of high-pressure mixture adsorption

Shuyan Liu, Xiaoning Yang, Zhen Yang, 2008 .

The Structure and Dynamics of the NaOH(aq):Gibbsite Interface

Xiaoning Yang, Wei Liu, A. Stack, 2021 .

Electrically Tunable Electron Transfer and Binding Interaction between Hydrated ions and GO.

Shuyan Liu, Xiaoning Yang, Zhijun Xu, 2019, The journal of physical chemistry letters.

Diffusion of Chelating Agents in Supercritical CO2 and a Predictive Approach for Diffusion Coefficients

Xiaoning Yang, M. Matthews, 2001 .

Near-Critical Behavior of Mutual Diffusion Coefficients for Five Solutes in Supercritical Carbon Dioxide

Xiaoning Yang, M. Matthews, L. Coelho, 2000 .

Molecular dynamics simulation of the mechanical properties of multilayer graphene oxide nanosheets

Hang Liu, Shuyan Liu, Xiaoning Yang, 2017 .

DFT Insights into the Interfacial Chemical Behavior of Hybrid LDH/GO Nanocomposites

Xiaoning Yang, Yanan Guo, Zhijun Xu, 2018, The Journal of Physical Chemistry C.

Stepwise co-precipitation to synthesize LiNi1/3Co1/3Mn1/3O2 one-dimensional hierarchical structure for lithium ion batteries

Zeheng Yang, Weixin Zhang, Doucheng Bian, 2014 .

Molecular dynamics simulation of interface-mediated GO-GO interaction at the air-water interface

Xiaoning Yang, Zhijun Xu, Zhibin Zhou, 2019, Journal of Molecular Liquids.

Molecular simulation of interaction between passivated gold nanoparticles in supercritical CO2.

Xiaoning Yang, Lunjiang Tang, Bin Wu, 2011, The Journal of chemical physics.

Molecular simulation of adsorption thermodynamics and dynamics behavior of GOs at air-water interface

Xiaoning Yang, Kai Chen, Shuyin Gu, 2021, Molecular Simulation.

Molecular interlayer intercalation of ethanol-water mixture towards GO laminated membranes

Xiaoning Yang, Zhijun Xu, W. Zhan, 2020 .

Ion-pairing and aggregation of ionic liquid-neutralized polyoxometalate salts in aqueous solutions

Xiaoning Yang, Zhen Yang, Y. Mei, 2016 .

Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality.

Yang Yang, Xiaoning Yang, Zhijun Xu, 2018, Chemphyschem : a European journal of chemical physics and physical chemistry.

Segregation Structures and Miscellaneous Diffusions for Ethanol/Water Mixtures in Graphene-Based Nanoscale Pores

Xiaoning Yang, Mengyao Zhao, 2015 .

Wetting behavior of water droplet on solid surfaces in solvent environment: A molecular simulation study

Xiaoning Yang, Yujie Lu, Mengqiu Yan, 2013 .

Superior Enhancement of the UHMWPE Fiber/Epoxy Interface through the Combination of Plasma Treatment and Polypyrrole In-Situ Grown Fibers

Xiaoning Yang, Ziming Xiong, Yilu Xia, 2023, Polymers.

Kinetics modeling of adsorption and desorption of benzaldehyde and benzyl alcohol on polymeric resin in supercritical CO2

C. Lira, Xiaoning Yang, Yaping Li, 2017 .

Molecular Dynamics Simulation of Water Molecules in Confined Slit Pores of Graphene

Xiaoning Yang, Mengyao Zhao, Xueping Yang, 2015 .

Molecular-Level Recognition of Interaction Mechanism between Graphene Oxides in Solvent Media

Xiaoning Yang, Yanan Guo, Zhijun Xu, 2018 .

Theoretical study of adsorption on activated carbon from a supercritical fluid by the SLD-ESD approach

C. Lira, Xiaoning Yang, 2006 .

Large-scale synthesis of self-assembled ultralong cannonite nanobelt film as a visible-light photocatalyst

Zeheng Yang, Weixin Zhang, Xiaoning Yang, 2015 .

Amine-based solvents for exfoliating graphite to graphene outperform the dispersing capacity of N-methyl-pyrrolidone and surfactants.

F. Liu, W. Schuhmann, M. Muhler, 2014, Chemical communications.

Structure of hard-core Yukawa fluid mixtures near a semi-permeable membrane: A density functional study

Xiaoning Yang, Zhijun Xu, Zhen Yang, 2008 .

Modulation of solid-water-peptide interfacial properties towards surface adsorption/bioresistance

Yang Yang, Xiaoning Yang, Zhijun Xu, 2019, Applied Surface Science.