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Unraveling nucleation pathway in methane clathrate formation

Proceedings of the National Academy of Sciences - PNAS, 2020-10, Vol.117 (40), p.24701-24708

2020

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A solution-processable and ultra-permeable conjugated microporous thermoset for selective hydrogen separation

Nature communications, 2020-04, Vol.11 (1), p.1633-1633, Article 1633

2020

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CO2‐Philic Separation Membrane: Deep Eutectic Solvent Filled Graphene Oxide Nanoslits

Small (Weinheim an der Bergstrasse, Germany), 2019-12, Vol.15 (49), p.e1904145-n/a

2019

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SnO2 nanoparticles-modified 3D-multilayer MoS2 nanosheets for ammonia gas sensing at room temperature

Sensors and actuators. B, Chemical, 2020-10, Vol.321, p.128471, Article 128471

2020

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Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups

Corrosion science, 2011, Vol.53 (1), p.147-152

2011

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Adsorption mechanism of oil components on water-wet mineral surface: A molecular dynamics simulation study

Energy (Oxford), 2013-09, Vol.59, p.295-300

2013

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Bioinspired design of Na-ion conduction channels in covalent organic frameworks for quasi-solid-state sodium batteries

Nature communications, 2023-05, Vol.14 (1), p.3066-3066, Article 3066

2023

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Study on the transformation from linear to branched wormlike micelles: An insight from molecular dynamics simulation

Journal of colloid and interface science, 2017-05, Vol.494, p.47-53

2017

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Selectively tuning gas transport through ionic liquid filled graphene oxide nanoslits using an electric field

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (25), p.1562-1567

2019

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Why synthetic virus-like nanoparticles can achieve higher cellular uptake efficiency?

Nanoscale, 2020-07, Vol.12 (27), p.14911-14918

2020

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Effect of surfactant headgroups on the oil/water interface: An interfacial tension measurement and simulation study

Journal of molecular structure, 2013-11, Vol.1052, p.50-56

2013

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Coarse-grained molecular dynamics study on the self-assembly of Gemini surfactants: the effect of spacer length

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (6), p.4462-4468

2017

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Combined Molecular Dynamics and Quantum Mechanics Study of Oil Droplet Adsorption on Different Self-Assembly Monolayers in Aqueous Solution

Journal of physical chemistry. C, 2013-06, Vol.117 (24), p.12510-12519

2013

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Molecular dynamics simulation of corrosive species diffusion in imidazoline inhibitor films with different alkyl chain length

Corrosion science, 2013-08, Vol.73, p.123-129

2013

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Density functional theory study of imidazole, benzimidazole and 2-mercaptobenzimidazole adsorption onto clean Cu(111) surface

Corrosion science, 2012-10, Vol.63, p.140-147

2012

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Molecular modeling of the inhibition mechanism of 1-(2-aminoethyl)-2-alkyl-imidazoline

Corrosion science, 2010-06, Vol.52 (6), p.2059-2065

2010

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Molecular dynamics simulations of water flow enhancement in carbon nanochannels

Computational materials science, 2017-08, Vol.136, p.60-66

2017

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The adsorption and dissociation of H2S on Cu(100) surface: A DTF study

Surface science, 2014-02, Vol.620, p.51-58

2014

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Research Status, Existing Problems, and the Prospect of New Methods of Determining the Lower Limit of the Physical Properties of Tight Sandstone Reservoirs

Energies (Basel), 2023-08, Vol.16 (15), p.5664

2023

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Tetrahydrofuran (THF)-Mediated Structure of THF·(H2O)n=1–10: A Computational Study on the Formation of the THF Hydrate

Crystals (Basel), 2019, Vol.9 (2), p.73

2019

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Molecular dynamics simulation of corrosive particle diffusion in benzimidazole inhibitor films

Corrosion science, 2011-04, Vol.53 (4), p.1331-1336

2011

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Synthesis and Growth Discussion of One-Dimensional MgO Nanostructures: Nanowires, Nanobelts, and Nanotubes in VLS Mechanism

Journal of physical chemistry. C, 2008-07, Vol.112 (28), p.10412-10417

2008

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The biphasic effect of ABA triblock copolymers on the self-assembly of surfactants: insight from dissipative particle dynamics

Molecular systems design & engineering, 2019-08, Vol.4 (4), p.921-928

2019

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Synthesis of ZnO nanotowers controlled by a reagent's vapour pressure

Journal of physics. D, Applied physics, 2013-04, Vol.46 (15), p.155304-1-7

2013

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Molecular insight into disassociation mechanism of tight oil in core–shell nanofluids flooding

Chemical physics letters, 2022-10, Vol.804, p.139849, Article 139849

2022

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Unraveling nucleation pathway in methane clathrate formation

A solution-processable and ultra-permeable conjugated microporous thermoset for selective hydrogen separation

CO2‐Philic Separation Membrane: Deep Eutectic Solvent Filled Graphene Oxide Nanoslits

SnO2 nanoparticles-modified 3D-multilayer MoS2 nanosheets for ammonia gas sensing at room temperature

Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups

Adsorption mechanism of oil components on water-wet mineral surface: A molecular dynamics simulation study

Bioinspired design of Na-ion conduction channels in covalent organic frameworks for quasi-solid-state sodium batteries

Study on the transformation from linear to branched wormlike micelles: An insight from molecular dynamics simulation

Selectively tuning gas transport through ionic liquid filled graphene oxide nanoslits using an electric field

Why synthetic virus-like nanoparticles can achieve higher cellular uptake efficiency?

Effect of surfactant headgroups on the oil/water interface: An interfacial tension measurement and simulation study

Coarse-grained molecular dynamics study on the self-assembly of Gemini surfactants: the effect of spacer length

Combined Molecular Dynamics and Quantum Mechanics Study of Oil Droplet Adsorption on Different Self-Assembly Monolayers in Aqueous Solution

Molecular dynamics simulation of corrosive species diffusion in imidazoline inhibitor films with different alkyl chain length

Density functional theory study of imidazole, benzimidazole and 2-mercaptobenzimidazole adsorption onto clean Cu(111) surface

Molecular modeling of the inhibition mechanism of 1-(2-aminoethyl)-2-alkyl-imidazoline

Molecular dynamics simulations of water flow enhancement in carbon nanochannels

The adsorption and dissociation of H2S on Cu(100) surface: A DTF study

Research Status, Existing Problems, and the Prospect of New Methods of Determining the Lower Limit of the Physical Properties of Tight Sandstone Reservoirs

Tetrahydrofuran (THF)-Mediated Structure of THF·(H2O)n=1–10: A Computational Study on the Formation of the THF Hydrate

Molecular dynamics simulation of corrosive particle diffusion in benzimidazole inhibitor films

Synthesis and Growth Discussion of One-Dimensional MgO Nanostructures: Nanowires, Nanobelts, and Nanotubes in VLS Mechanism

The biphasic effect of ABA triblock copolymers on the self-assembly of surfactants: insight from dissipative particle dynamics

Synthesis of ZnO nanotowers controlled by a reagent's vapour pressure

Molecular insight into disassociation mechanism of tight oil in core–shell nanofluids flooding

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