Supplementary material for 'Adsorption of Light Gases in Covalent Organic Fra...

B2FIND2026-03-19 收录

吸附模拟

共价有机框架材料

数据链接：

https://b2find.eudat.eu/dataset/5226142c-828d-5d92-ae2a-7cda5c0dea9f 数据链接链接失效反馈

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This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid...

Europium Ionic Liquid Grafted Covalent Organic Framework with Dual Luminescence Emissions as Sensitive and Selective Acetone Sensor

丙酮传感器

共价有机框架材料

Chronical exposure to volatile acetone could damage to the liver and kidney or nerve, and cause inflammation. Design of novel materials for the sensitive and selective detection of acetone is of great

NIAID Data Ecosystem100

Humidity Sensing through Reversible Isomerization of a Covalent Organic Framework

化学湿度传感

共价有机框架材料

Here we report that a covalent organic framework (COF), which contains 2,5-di(imine)-substituted 1,4-dihydroxybenzene (diiminol) moieties, undergoes color changes in the presence of solvents or solve

NIAID Data Ecosystem60

Synergistic lock-anchor engineered diketopyrrolopyrrole-COFs for efficient photocatalytic uranium extraction

光催化海水提铀

共价有机框架材料

As a key low-carbon energy source, nuclear power plays a vital role in the global transition toward sustainable energy. Photocatalytic uranium extraction from seawater (UES) offers a promising solutio

中国科学数据2026-04-24 更新00

Simulation of the Mechanism of Gas Sorption in a Metal–Organic Framework with Open Metal Sites: Molecular Hydrogen in PCN-61

吸附模拟

分子相互作用

Grand canonical Monte Carlo (GCMC) simulations were performed to investigate hydrogen sorption in an rht-type metal–organic framework (MOF), PCN-61. The MOF was shown to have a large hydrogen uptake,

NIAID Data Ecosystem70

Additional Data for: "The Effect of Atomic Point Charges on Adsorption Isotherms of CO2 and Water in Metal Organic Frameworks"

吸附模拟

金属有机框架

This record contains additional input files that had not been included in the original data set for this article. In particular, the present record contains atom and molecule files that are needed to

DataCite Commons2021-01-06 更新50

Supplementary material for 'Adsorption of Light Gases in Covalent Organic Fra...

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