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How to characterize thermal transport capability of 2D materials fairly? – Sheet thermal conductance and the choice of thickness

Chemical physics letters, 2017-02, Vol.669, p.233-237

2017

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Discovery of multi-functional polyimides through high-throughput screening using explainable machine learning

Chemical engineering journal (Lausanne, Switzerland : 1996), 2023-06, Vol.465 (C), p.142949, Article 142949

2023

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Transesterification in Vitrimer Polymers Using Bifunctional Catalysts: Modeled with Solution-Phase Experimental Rates and Theoretical Analysis of Efficiency and Mechanisms

The journal of physical chemistry. B, 2021-03, Vol.125 (9), p.2411-2424

2021

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Structure of Poly(methyl methacrylate) Chains Adsorbed on Sapphire Probed Using Infrared−Visible Sum Frequency Generation Spectroscopy

Langmuir, 2004-08, Vol.20 (17), p.7183-7188

2004

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Nanoscale TiO2 films and their application in remediation of organic pollutants

Coordination chemistry reviews, 2016-01, Vol.306, p.43-64

2016

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Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity

Nano letters, 2016-06, Vol.16 (6), p.3925-3935

2016

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Thermal Conductivity of Wurtzite Zinc-Oxide from First-Principles Lattice Dynamics--a Comparative Study with Gallium Nitride

Scientific reports, 2016-03, Vol.6 (1), p.22504-22504, Article 22504

2016

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How does the coupling of secondary and tertiary interactions control the folding of helical macromolecules?

The Journal of chemical physics, 2007-01, Vol.126 (4), p.044906-044906

2007

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Mechanical behavior of MXene-Polymer layered nanocomposite using computational finite element analysis

Composites. Part B, Engineering, 2024-09, Vol.284, p.111689, Article 111689

2024

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Molecular Modeling of Cross-Linked Polymers with Complex Cure Pathways: A Case Study of Bismaleimide Resins

Macromolecules, 2018-03, Vol.51 (5), p.1830-1840

2018

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Modeling for predicting strength of carbon nanostructures

Carbon (New York), 2015-12, Vol.95, p.181-189

2015

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Calculation of specific heat of polymers using molecular dynamics simulations

Polymer (Guilford), 2019-03, Vol.167, p.176-181

2019

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Efficiency and Mechanism of Catalytic Siloxane Exchange in Vitrimer Polymers: Modeling and Density Functional Theory Investigations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-07, Vol.128 (28), p.5627-5636

2024

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Developing nanotube junctions with arbitrary specificationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7nr06659g

2017-12

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Polyimide Hybrid Nanocomposites with Controlled Polymer Filling and Polymer–Matrix Interaction

ACS applied materials & interfaces, 2022-06, Vol.14 (24), p.28239-28246

2022

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In situ mechanical investigation of carbon nanotube-graphene junction in three-dimensional carbon nanostructures

Nanoscale, 2017-02, Vol.9 (8), p.2916-2924

2017

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Developing nanotube junctions with arbitrary specifications

Nanoscale, 2018-01, Vol.10 (1), p.403-415

2018

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Computer-aided design of three terminal (3T-) zig-zag SWCNT junctions and nanotube architectures

Composites science and technology, 2018-09, Vol.166, p.36-45

2018

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Molecular dynamics simulations of separator-cathode interfacial thermal transport in a Li-ion cell

Surfaces and interfaces, 2020-12, Vol.21, p.100674, Article 100674

2020

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Modeling the Role of Bulk and Surface Characteristics of Carbon Fiber on Thermal Conductance across the Carbon-Fiber/Matrix Interface

ACS applied materials & interfaces, 2015-12, Vol.7 (48), p.26674-26683

2015

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Modeling Approach to Capture Hyperelasticity and Temporary Bonds in Soft Polymer Networks

Macromolecules, 2022-05, Vol.55 (9), p.3573-3587

2022

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Breaking the bottleneck: stilbene as a model compound for optimizing 6π e photocyclization efficiency

RSC advances, 2021-02, Vol.11 (12), p.654-658

2021

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Vitrimer Composites: Understanding the Role of Filler in Vitrimer Applicability

ACS applied polymer materials, 2022-09, Vol.4 (9), p.6374-6385

2022

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Single mode phonon scattering at carbon nanotube-graphene junction in pillared graphene structure

Applied physics letters, 2012-04, Vol.100 (18), p.183111-183111-4

2012

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Vitrimer Transition Temperature Identification: Coupling Various Thermomechanical Methodologies

ACS applied polymer materials, 2021-04, Vol.3 (4), p.1756-1766

2021

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How to characterize thermal transport capability of 2D materials fairly? – Sheet thermal conductance and the choice of thickness

Discovery of multi-functional polyimides through high-throughput screening using explainable machine learning

Transesterification in Vitrimer Polymers Using Bifunctional Catalysts: Modeled with Solution-Phase Experimental Rates and Theoretical Analysis of Efficiency and Mechanisms

Structure of Poly(methyl methacrylate) Chains Adsorbed on Sapphire Probed Using Infrared−Visible Sum Frequency Generation Spectroscopy

Nanoscale TiO2 films and their application in remediation of organic pollutants

Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity

Thermal Conductivity of Wurtzite Zinc-Oxide from First-Principles Lattice Dynamics--a Comparative Study with Gallium Nitride

How does the coupling of secondary and tertiary interactions control the folding of helical macromolecules?

Mechanical behavior of MXene-Polymer layered nanocomposite using computational finite element analysis

Molecular Modeling of Cross-Linked Polymers with Complex Cure Pathways: A Case Study of Bismaleimide Resins

Modeling for predicting strength of carbon nanostructures

Calculation of specific heat of polymers using molecular dynamics simulations

Efficiency and Mechanism of Catalytic Siloxane Exchange in Vitrimer Polymers: Modeling and Density Functional Theory Investigations

Developing nanotube junctions with arbitrary specificationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7nr06659g

Polyimide Hybrid Nanocomposites with Controlled Polymer Filling and Polymer–Matrix Interaction

In situ mechanical investigation of carbon nanotube-graphene junction in three-dimensional carbon nanostructures

Developing nanotube junctions with arbitrary specifications

Computer-aided design of three terminal (3T-) zig-zag SWCNT junctions and nanotube architectures

Molecular dynamics simulations of separator-cathode interfacial thermal transport in a Li-ion cell

Modeling the Role of Bulk and Surface Characteristics of Carbon Fiber on Thermal Conductance across the Carbon-Fiber/Matrix Interface

Modeling Approach to Capture Hyperelasticity and Temporary Bonds in Soft Polymer Networks

Breaking the bottleneck: stilbene as a model compound for optimizing 6π e photocyclization efficiency

Vitrimer Composites: Understanding the Role of Filler in Vitrimer Applicability

Single mode phonon scattering at carbon nanotube-graphene junction in pillared graphene structure

Vitrimer Transition Temperature Identification: Coupling Various Thermomechanical Methodologies

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