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Tuning the electronic properties of Zr UiO-66 through defect-functionalised multivariate modulation

Zenodo2024-07-02 更新2026-04-07 收录

金属有机框架电子调控

材料缺陷工程

数据链接：

https://zenodo.org/doi/10.5281/zenodo.12625580 数据链接链接失效反馈

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资源简介：

Raw data supporting the article 'Tuning the electronic properties of Zr UiO-66 through defect-functionalised multivariate modulation'.

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创建时间：

2024-07-02

纳米光学非线性

材料缺陷工程

This research dataset should be interpreted and understood in the context of the corresponding manuscript, which has been published in Optics Express with DOI: 10.1364/OE.443977. All relevant informat

DataCite Commons2021-12-15 更新70

Data for the article: Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the missing piece

材料缺陷工程

CdTe太阳能电池

Input VASP files for all the data reported in Nature Communications. INCAR and POSCAR files for:1) 0 Cl GB structures with and without stacking faults and input files required for NEB.2) Structures an

NIAID Data Ecosystem60

Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66

金属有机框架吸附

材料缺陷工程

Simulations outputs from DFT and MC calculations on UiO-66 structures

NIAID Data Ecosystem40

A Simple and Rational Approach for Binodal Metal–Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects

金属有机框架

材料缺陷工程

The fact that asymmetrically substituted dicarboxylate is capable of forming two different coordination modes is exploited to synthesize a binodal metal–organic framework containing tetrahedral nodes,

NIAID Data Ecosystem70

Supporting Information Anti-Defect Engineering Toward High Luminescent Efficiency in Whitlockite Phosphors

荧光粉发光材料

材料缺陷工程

Main parameters of processing and refinement of the phosphors Fractional atomic coordinates and isotropic displacement parameters (Å2) of phosphors.Main bond lengths (Å) of phosphors.Calculation of th

NIAID Data Ecosystem50

Tuning the electronic properties of Zr UiO-66 through defect-functionalised multivariate modulation

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