4.8 Article

Multiscale Modeling Strategy of 2D Covalent Organic Frameworks Confined at an Air-Water Interface

Related references

Note: Only part of the references are listed.
Review Chemistry, Multidisciplinary

Covalent organic framework based lithium-ion battery: Fundamental, design and characterization

Yiming Hu et al.

Summary: COFs are being used to design cathode, anode, and electrolyte materials for LIBs, offering properties such as porosity, robust backbone, and customizable structure. This approach shows great potential in the development of next-generation batteries but faces current obstacles.

ENERGYCHEM (2021)

Article Chemistry, Multidisciplinary

A Two-Dimensional Poly(azatriangulene) Covalent Organic Framework with Semiconducting and Paramagnetic States

Vellanki Lakshmi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Multidisciplinary

A Simple Molecular Design Strategy for Two-Dimensional Covalent Organic Framework Capable of Visible-Light-Driven Water Splitting

Yangyang Wan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Nanoscience & Nanotechnology

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Kathryn S. Deeg et al.

ACS APPLIED MATERIALS & INTERFACES (2020)

Editorial Material Chemistry, Physical

Making 2D topological polymers a reality

Yu Jing et al.

NATURE MATERIALS (2020)

Article Chemistry, Multidisciplinary

A Truxenone-based Covalent Organic Framework as an All-Solid-State Lithium-Ion Battery Cathode with High Capacity

Xiye Yang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Chemistry, Physical

π-Orbital Yin-Yang Kagome bands in anilato-based metal-organic frameworks

Xiaojuan Ni et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

An energy and charge transfer synergetic donor-acceptor heterostructure 2D-COF in photovoltaics

Linli Yao et al.

JOURNAL OF MATERIALS CHEMISTRY A (2020)

Review Chemistry, Multidisciplinary

Confined growth of ordered organic frameworks at an interface

Yinghua Jin et al.

CHEMICAL SOCIETY REVIEWS (2020)

Review Chemistry, Multidisciplinary

Covalent organic framework nanosheets: preparation, properties and applications

D. Rodriguez-San-Miguel et al.

CHEMICAL SOCIETY REVIEWS (2020)

Review Chemistry, Multidisciplinary

Encapsulating Metal Nanocatalysts within Porous Organic Hosts

Xinchun Yang et al.

TRENDS IN CHEMISTRY (2020)

Article Chemistry, Physical

Electronic Structure of Two-Dimensional π-Conjugated Covalent Organic Frameworks

Simil Thomas et al.

CHEMISTRY OF MATERIALS (2019)

Article Chemistry, Multidisciplinary

Crystalline Lithium Imidazolate Covalent Organic Frameworks with High Li-Ion Conductivity

Yiming Hu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Article Chemistry, Multidisciplinary

Unveiling Electronic Properties in Metal-Phthalocyanine-Based Pyrazine-Linked Conjugated Two-Dimensional Covalent Organic Frameworks

Mingchao Wang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Article Chemistry, Multidisciplinary

Two-Dimensional Kagome Lattices Made of Hetero Triangulenes Are Dirac Semimetals or Single-Band Semiconductors

Yu Jing et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Review Chemistry, Multidisciplinary

Interface-Assisted Synthesis of 2D Materials: Trend and Challenges

Renhao Dong et al.

CHEMICAL REVIEWS (2018)

Article Nanoscience & Nanotechnology

Highly Fluoro-Substituted Covalent Organic Framework and Its Application in Lithium-Sulfur Batteries

De-Gao Wang et al.

ACS APPLIED MATERIALS & INTERFACES (2018)

Article Multidisciplinary Sciences

Realization of flat band with possible nontrivial topology in electronic Kagome lattice

Zhi Li et al.

SCIENCE ADVANCES (2018)

Review Chemistry, Applied

Covalent organic frameworks as heterogeneous catalysts

Hui Hu et al.

CHINESE JOURNAL OF CATALYSIS (2018)

Article Chemistry, Physical

1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations

Leela S. Dodda et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2017)

Article Biochemistry & Molecular Biology

LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands

Leela S. Dodda et al.

NUCLEIC ACIDS RESEARCH (2017)

Review Chemistry, Multidisciplinary

Charge Transport in Molecular Materials: An Assessment of Computational Methods

Harald Oberhofer et al.

CHEMICAL REVIEWS (2017)

Review Chemistry, Multidisciplinary

Design Principles for Covalent Organic Frameworks in Energy Storage Applications

Sampath B. Alahakoon et al.

CHEMSUSCHEM (2017)

Article Chemistry, Multidisciplinary

Synthesis of a Two-Dimensional Covalent Organic Monolayer through Dynamic Imine Chemistry at the Air/Water Interface

Wenyang Dai et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)

Review Chemistry, Multidisciplinary

Light-Matter Interactions in Phosphorene

Junpeng Lu et al.

ACCOUNTS OF CHEMICAL RESEARCH (2016)

Review Chemistry, Multidisciplinary

Covalent organic frameworks based on Schiff-base chemistry: synthesis, properties and potential applications

Jose L. Segura et al.

CHEMICAL SOCIETY REVIEWS (2016)

Article Chemistry, Multidisciplinary

Azine-Linked Covalent Organic Framework (COF)-Based Mixed-Matrix Membranes for CO2/CH4 Separation

Meixia Shan et al.

CHEMISTRY-A EUROPEAN JOURNAL (2016)

Article Chemistry, Physical

Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface

Ross D. Hoehn et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Multidisciplinary

The electronic and transport properties of two-dimensional conjugated polymer networks including disorder

Jean-Joseph Adjizian et al.

NANOSCALE (2016)

Article Chemistry, Physical

Spin-polarized Dirac cones and topological nontriviality in a metal-organic framework Ni2C24S6H12

Lin Wei et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Multidisciplinary Sciences

MoS2 transistors with 1-nanometer gate lengths

Sujay B. Desai et al.

SCIENCE (2016)

Article Multidisciplinary Sciences

Wafer-sized multifunctional polyimine-based two-dimensional conjugated polymers with high mechanical stiffness

Hafeesudeen Sahabudeen et al.

NATURE COMMUNICATIONS (2016)

Article Chemistry, Organic

Reactivity of aldehydes at the air-water interface. Insights from molecular dynamics simulations and ab initio calculations

Marilia T. C. Martins-Costa et al.

ORGANIC & BIOMOLECULAR CHEMISTRY (2015)

Article Chemistry, Multidisciplinary

Synthesis of high quality two-dimensional materials via chemical vapor deposition

Jingxue Yu et al.

CHEMICAL SCIENCE (2015)

Article Multidisciplinary Sciences

A tunable azine covalent organic framework platform for visible light-induced hydrogen generation

Vijay S. Vyas et al.

NATURE COMMUNICATIONS (2015)

Review Computer Science, Information Systems

Two-Dimensional Materials for Sensing: Graphene and Beyond

Seba Sara Varghese et al.

ELECTRONICS (2015)

Article Chemistry, Multidisciplinary

Two-Dimensional Soft Nanomaterials: A Fascinating World of Materials

Xiaodong Zhuang et al.

ADVANCED MATERIALS (2015)

Article Chemistry, Physical

Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems

Maximilian Kubillus et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Chemistry, Multidisciplinary

A 2D azine-linked covalent organic framework for gas storage applications

Zhongping Li et al.

CHEMICAL COMMUNICATIONS (2014)

Article Chemistry, Physical

Adsorption, Mobility, and Self-Association of Naphthalene and 1-Methylnaphthalene at the Water-Vapor Interface

Ivan Gladich et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2014)

Article Chemistry, Multidisciplinary

Synthesis of Two-Dimensional Analogues of Copolymers by Site-to-Site Transmetalation of Organometallic Monolayer Sheets

Zhikun Zheng et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Article Multidisciplinary Sciences

Dirac Cones in two-dimensional conjugated polymer networks

Jean-Joseph Adjizian et al.

NATURE COMMUNICATIONS (2014)

Article Chemistry, Physical

Parametrization and Benchmark of DFTB3 for Organic Molecules

Michael Gaus et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Multidisciplinary

An Azine-Linked Covalent Organic Framework

Sasanka Dalapati et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Chemistry, Multidisciplinary

High-Rate Charge-Carrier Transport in Porphyrin Covalent Organic Frameworks: Switching from Hole to Electron to Ambipolar Conduction

Xiao Feng et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

Article Chemistry, Physical

Organic molecules on the surface of water droplets - an energetic perspective

Jochen S. Hub et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

A flexible model for water based on TIP4P/2005

Miguel A. Gonzalez et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

g_wham-A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

Jochen S. Hub et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Chemistry, Physical

Driving Forces for Adsorption of Amphiphilic Peptides to the Air-Water Interface

Ozge Engin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Chemistry, Physical

GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation

Berk Hess et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Article Chemistry, Physical

DFTB+, a sparse matrix-based implementation of the DFTB method

B. Aradi et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

Article Physics, Multidisciplinary

Dipole-quadrupole force ratios determine the ability of potential models to describe the phase diagram of water

Jose L. F. Abascal et al.

PHYSICAL REVIEW LETTERS (2007)

Article Chemistry, Physical

Canonical sampling through velocity rescaling

Giovanni Bussi et al.

JOURNAL OF CHEMICAL PHYSICS (2007)